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Identification
NameHalofantrine
Accession NumberDB01218  (APRD00419)
TypeSmall Molecule
GroupsApproved
DescriptionHalofantrine is a drug used to treat malaria. It belongs to the phenanthrene class of compounds that includes quinine and lumefantrine. It appears to inhibit polymerisation of heme molecules (by the parasite enzyme "heme polymerase"), resulting in the parasite being poisoned by its own waste. Halofantrine has been shown to preferentially block open and inactivated HERG channels leading to some degree of cardiotoxicity.
Structure
Thumb
Synonyms
Halfan
Halofantrina
Halofantrine
Halofantrinum
External Identifiers Not Available
Approved Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Halfan - Tab 250mgtablet250 mgoralSmithkline Beecham Pharma Division Of Smithkline Beecham Inc1996-07-161999-03-08Canada
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International Brands
NameCompany
HalfanNot Available
Brand mixturesNot Available
Salts
Name/CASStructureProperties
Halofantrine hydrochloride
ThumbNot applicableDBSALT001186
Categories
UNIIQ2OS4303HZ
CAS number69756-53-2
WeightAverage: 500.424
Monoisotopic: 499.165654616
Chemical FormulaC26H30Cl2F3NO
InChI KeyInChIKey=FOHHNHSLJDZUGQ-UHFFFAOYSA-N
InChI
InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3
IUPAC Name
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
SMILES
CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenanthrenes and derivatives
Sub ClassNot Available
Direct ParentPhenanthrenes and derivatives
Alternative Parents
Substituents
  • Phenanthrene
  • Naphthalene
  • 1,3-dichlorobenzene
  • Aralkylamine
  • Chlorobenzene
  • Aryl halide
  • Aryl chloride
  • 1,3-aminoalcohol
  • Tertiary aliphatic amine
  • Tertiary amine
  • Secondary alcohol
  • Hydrocarbon derivative
  • Aromatic alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organofluoride
  • Organochloride
  • Organohalogen compound
  • Amine
  • Alkyl halide
  • Alkyl fluoride
  • Alcohol
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Pharmacology
IndicationFor treatment of Severe malaria
PharmacodynamicsHalofantrine is a synthetic antimalarial which acts as a blood schizonticide. It is effective against multi drug resistant (including mefloquine resistant) P. falciparum malaria.
Mechanism of actionThe mechanism of action of Halofantrine may be similar to that of chloroquine, quinine, and mefloquine; by forming toxic complexes with ferritoporphyrin IX that damage the membrane of the parasite.
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein binding60-70%;
Metabolism

Hepatic

SubstrateEnzymesProduct
Halofantrine
N-debutylhalofantrineDetails
Route of eliminationNot Available
Half life6-10 days
ClearanceNot Available
ToxicitySide effects incldue coughing noisy, rattling, troubled breathing, loss of appetite, aches and pain in joints, indigestion,and skin itching or rash.
Affected organisms
  • Plasmodium
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.949
Caco-2 permeable+0.6485
P-glycoprotein substrateSubstrate0.74
P-glycoprotein inhibitor IInhibitor0.6857
P-glycoprotein inhibitor IIInhibitor0.6097
Renal organic cation transporterNon-inhibitor0.5267
CYP450 2C9 substrateNon-substrate0.8426
CYP450 2D6 substrateSubstrate0.8918
CYP450 3A4 substrateSubstrate0.6218
CYP450 1A2 substrateInhibitor0.5513
CYP450 2C9 inhibitorNon-inhibitor0.9071
CYP450 2D6 inhibitorInhibitor0.8931
CYP450 2C19 inhibitorNon-inhibitor0.9025
CYP450 3A4 inhibitorInhibitor0.7959
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.5252
Ames testNon AMES toxic0.6185
CarcinogenicityNon-carcinogens0.6485
BiodegradationNot ready biodegradable1.0
Rat acute toxicity2.6809 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Strong inhibitor0.732
hERG inhibition (predictor II)Inhibitor0.9085
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage forms
FormRouteStrength
Tabletoral250 mg
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental Properties
PropertyValueSource
logP8.9Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000111 mg/mLALOGPS
logP7.34ALOGPS
logP8.06ChemAxon
logS-6.7ALOGPS
pKa (Strongest Acidic)14.47ChemAxon
pKa (Strongest Basic)10.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area23.47 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity131.66 m3·mol-1ChemAxon
Polarizability51.53 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesP01BX01
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelDownload (84 KB)
MSDSDownload (27.1 KB)
Interactions
Drug Interactions
Drug
AbirateroneThe serum concentration of Halofantrine can be increased when it is combined with Abiraterone.
AcepromazineThe serum concentration of Acepromazine can be increased when it is combined with Halofantrine.
AlimemazineThe serum concentration of Alimemazine can be increased when it is combined with Halofantrine.
AmiodaroneThe serum concentration of Halofantrine can be increased when it is combined with Amiodarone.
AprepitantThe serum concentration of Halofantrine can be increased when it is combined with Aprepitant.
ArtemetherThe risk or severity of adverse effects can be increased when Artemether is combined with Halofantrine.
AtazanavirThe serum concentration of Halofantrine can be increased when it is combined with Atazanavir.
AtomoxetineThe metabolism of Halofantrine can be decreased when combined with Atomoxetine.
BetaxololThe metabolism of Halofantrine can be decreased when combined with Betaxolol.
BexaroteneThe serum concentration of Halofantrine can be decreased when it is combined with Bexarotene.
BoceprevirThe serum concentration of Halofantrine can be increased when it is combined with Boceprevir.
BortezomibThe metabolism of Halofantrine can be decreased when combined with Bortezomib.
BosentanThe serum concentration of Halofantrine can be decreased when it is combined with Bosentan.
BupropionThe metabolism of Halofantrine can be decreased when combined with Bupropion.
CarbamazepineThe metabolism of Halofantrine can be increased when combined with Carbamazepine.
CelecoxibThe metabolism of Halofantrine can be decreased when combined with Celecoxib.
CeritinibThe serum concentration of Halofantrine can be increased when it is combined with Ceritinib.
ChloroquineThe metabolism of Halofantrine can be decreased when combined with Chloroquine.
ChlorpromazineThe serum concentration of Chlorpromazine can be increased when it is combined with Halofantrine.
ChlorpromazineThe metabolism of Halofantrine can be decreased when combined with Chlorpromazine.
CholecalciferolThe metabolism of Halofantrine can be decreased when combined with Cholecalciferol.
CimetidineThe metabolism of Halofantrine can be decreased when combined with Cimetidine.
CinacalcetThe metabolism of Halofantrine can be decreased when combined with Cinacalcet.
CitalopramThe metabolism of Halofantrine can be decreased when combined with Citalopram.
ClarithromycinThe serum concentration of Halofantrine can be increased when it is combined with Clarithromycin.
ClemastineThe metabolism of Halofantrine can be decreased when combined with Clemastine.
ClobazamThe metabolism of Halofantrine can be decreased when combined with Clobazam.
ClomipramineThe metabolism of Halofantrine can be decreased when combined with Clomipramine.
ClopidogrelThe metabolism of Halofantrine can be decreased when combined with Clopidogrel.
ClotrimazoleThe metabolism of Halofantrine can be decreased when combined with Clotrimazole.
ClozapineThe metabolism of Halofantrine can be decreased when combined with Clozapine.
CobicistatThe serum concentration of Halofantrine can be increased when it is combined with Cobicistat.
CocaineThe metabolism of Halofantrine can be decreased when combined with Cocaine.
ConivaptanThe serum concentration of Halofantrine can be increased when it is combined with Conivaptan.
CrizotinibThe metabolism of Halofantrine can be decreased when combined with Crizotinib.
CyclosporineThe metabolism of Halofantrine can be decreased when combined with Cyclosporine.
DabrafenibThe serum concentration of Halofantrine can be decreased when it is combined with Dabrafenib.
DapsoneThe risk or severity of adverse effects can be increased when Halofantrine is combined with Dapsone.
DarifenacinThe metabolism of Halofantrine can be decreased when combined with Darifenacin.
DarunavirThe serum concentration of Halofantrine can be increased when it is combined with Darunavir.
DasatinibThe serum concentration of Halofantrine can be increased when it is combined with Dasatinib.
DeferasiroxThe serum concentration of Halofantrine can be decreased when it is combined with Deferasirox.
DelavirdineThe metabolism of Halofantrine can be decreased when combined with Delavirdine.
DesipramineThe metabolism of Halofantrine can be decreased when combined with Desipramine.
DexamethasoneThe serum concentration of Halofantrine can be decreased when it is combined with Dexamethasone.
DihydroergotamineThe metabolism of Halofantrine can be decreased when combined with Dihydroergotamine.
DiltiazemThe metabolism of Halofantrine can be decreased when combined with Diltiazem.
DiphenhydramineThe metabolism of Halofantrine can be decreased when combined with Diphenhydramine.
DoxycyclineThe metabolism of Halofantrine can be decreased when combined with Doxycycline.
DronedaroneThe metabolism of Halofantrine can be decreased when combined with Dronedarone.
DuloxetineThe metabolism of Halofantrine can be decreased when combined with Duloxetine.
EfavirenzThe serum concentration of Halofantrine can be decreased when it is combined with Efavirenz.
EliglustatThe metabolism of Halofantrine can be decreased when combined with Eliglustat.
EnzalutamideThe serum concentration of Halofantrine can be decreased when it is combined with Enzalutamide.
ErythromycinThe metabolism of Halofantrine can be decreased when combined with Erythromycin.
Eslicarbazepine acetateThe serum concentration of Halofantrine can be decreased when it is combined with Eslicarbazepine acetate.
EtravirineThe serum concentration of Halofantrine can be decreased when it is combined with Etravirine.
FelodipineThe metabolism of Halofantrine can be decreased when combined with Felodipine.
FesoterodineThe serum concentration of the active metabolites of Fesoterodine can be increased when Fesoterodine is used in combination with Halofantrine.
FluconazoleThe metabolism of Halofantrine can be decreased when combined with Fluconazole.
FluoxetineThe metabolism of Halofantrine can be decreased when combined with Fluoxetine.
FluphenazineThe serum concentration of Fluphenazine can be increased when it is combined with Halofantrine.
FluvoxamineThe metabolism of Halofantrine can be decreased when combined with Fluvoxamine.
FosamprenavirThe metabolism of Halofantrine can be decreased when combined with Fosamprenavir.
FosaprepitantThe serum concentration of Halofantrine can be increased when it is combined with Fosaprepitant.
FosphenytoinThe metabolism of Halofantrine can be increased when combined with Fosphenytoin.
Fusidic AcidThe serum concentration of Halofantrine can be increased when it is combined with Fusidic Acid.
GemfibrozilThe metabolism of Halofantrine can be decreased when combined with Gemfibrozil.
HaloperidolThe metabolism of Halofantrine can be decreased when combined with Haloperidol.
IdelalisibThe serum concentration of Halofantrine can be increased when it is combined with Idelalisib.
ImatinibThe metabolism of Halofantrine can be decreased when combined with Imatinib.
ImipramineThe metabolism of Halofantrine can be decreased when combined with Imipramine.
IndinavirThe serum concentration of Halofantrine can be increased when it is combined with Indinavir.
IrbesartanThe metabolism of Halofantrine can be decreased when combined with Irbesartan.
IsavuconazoniumThe metabolism of Halofantrine can be decreased when combined with Isavuconazonium.
IsoniazidThe metabolism of Halofantrine can be decreased when combined with Isoniazid.
IsradipineThe metabolism of Halofantrine can be decreased when combined with Isradipine.
ItraconazoleThe serum concentration of Halofantrine can be increased when it is combined with Itraconazole.
IvacaftorThe serum concentration of Halofantrine can be increased when it is combined with Ivacaftor.
KetoconazoleThe serum concentration of Halofantrine can be increased when it is combined with Ketoconazole.
Lanthanum carbonateThe serum concentration of Halofantrine can be decreased when it is combined with Lanthanum carbonate.
LapatinibThe metabolism of Halofantrine can be decreased when combined with Lapatinib.
LopinavirThe serum concentration of Halofantrine can be increased when it is combined with Lopinavir.
LorcaserinThe metabolism of Halofantrine can be decreased when combined with Lorcaserin.
LosartanThe metabolism of Halofantrine can be decreased when combined with Losartan.
LovastatinThe metabolism of Halofantrine can be decreased when combined with Lovastatin.
LuliconazoleThe serum concentration of Halofantrine can be increased when it is combined with Luliconazole.
LumacaftorThe serum concentration of Halofantrine can be increased when it is combined with Lumacaftor.
LumefantrineThe risk or severity of adverse effects can be increased when Halofantrine is combined with Lumefantrine.
LumefantrineLumefantrine may increase the QTc-prolonging activities of Halofantrine.
MefloquineMefloquine may increase the QTc-prolonging activities of Halofantrine.
MesoridazineThe serum concentration of Mesoridazine can be increased when it is combined with Halofantrine.
MethadoneThe metabolism of Halofantrine can be decreased when combined with Methadone.
MethotrimeprazineThe serum concentration of Methotrimeprazine can be increased when it is combined with Halofantrine.
MethotrimeprazineThe metabolism of Halofantrine can be decreased when combined with Methotrimeprazine.
Methylene blueThe serum concentration of Methylene blue can be increased when it is combined with Halofantrine.
MetoprololThe serum concentration of Metoprolol can be increased when it is combined with Halofantrine.
MetoprololThe metabolism of Halofantrine can be decreased when combined with Metoprolol.
MifepristoneThe metabolism of Halofantrine can be decreased when combined with Mifepristone.
MirabegronThe metabolism of Halofantrine can be decreased when combined with Mirabegron.
MitotaneThe serum concentration of Halofantrine can be decreased when it is combined with Mitotane.
ModafinilThe serum concentration of Halofantrine can be decreased when it is combined with Modafinil.
MoricizineThe serum concentration of Moricizine can be increased when it is combined with Halofantrine.
NafcillinThe serum concentration of Halofantrine can be decreased when it is combined with Nafcillin.
NefazodoneThe serum concentration of Halofantrine can be increased when it is combined with Nefazodone.
NelfinavirThe serum concentration of Halofantrine can be increased when it is combined with Nelfinavir.
NetupitantThe serum concentration of Halofantrine can be increased when it is combined with Netupitant.
NevirapineThe metabolism of Halofantrine can be decreased when combined with Nevirapine.
NicardipineThe metabolism of Halofantrine can be decreased when combined with Nicardipine.
NilotinibThe metabolism of Halofantrine can be decreased when combined with Nilotinib.
OlaparibThe metabolism of Halofantrine can be decreased when combined with Olaparib.
OsimertinibThe serum concentration of Halofantrine can be increased when it is combined with Osimertinib.
PalbociclibThe serum concentration of Halofantrine can be increased when it is combined with Palbociclib.
PanobinostatThe metabolism of Halofantrine can be decreased when combined with Panobinostat.
ParoxetineThe metabolism of Halofantrine can be decreased when combined with Paroxetine.
Peginterferon alfa-2bThe serum concentration of Halofantrine can be decreased when it is combined with Peginterferon alfa-2b.
PentobarbitalThe metabolism of Halofantrine can be increased when combined with Pentobarbital.
PerphenazineThe serum concentration of Perphenazine can be increased when it is combined with Halofantrine.
PhenobarbitalThe metabolism of Halofantrine can be increased when combined with Phenobarbital.
PhenytoinThe metabolism of Halofantrine can be increased when combined with Phenytoin.
PioglitazoneThe metabolism of Halofantrine can be decreased when combined with Pioglitazone.
PosaconazoleThe serum concentration of Halofantrine can be increased when it is combined with Posaconazole.
PrimidoneThe metabolism of Halofantrine can be increased when combined with Primidone.
ProchlorperazineThe serum concentration of Prochlorperazine can be increased when it is combined with Halofantrine.
PromazineThe serum concentration of Promazine can be increased when it is combined with Halofantrine.
PromazineThe metabolism of Halofantrine can be decreased when combined with Promazine.
PromethazineThe serum concentration of Promethazine can be increased when it is combined with Halofantrine.
QuinidineThe metabolism of Halofantrine can be decreased when combined with Quinidine.
QuinineThe risk or severity of adverse effects can be increased when Quinine is combined with Halofantrine.
RabeprazoleThe metabolism of Halofantrine can be decreased when combined with Rabeprazole.
RanolazineThe metabolism of Halofantrine can be decreased when combined with Ranolazine.
RifabutinThe metabolism of Halofantrine can be increased when combined with Rifabutin.
RifampicinThe metabolism of Halofantrine can be increased when combined with Rifampicin.
RifapentineThe metabolism of Halofantrine can be increased when combined with Rifapentine.
RitonavirThe serum concentration of Halofantrine can be increased when it is combined with Ritonavir.
RolapitantThe metabolism of Halofantrine can be decreased when combined with Rolapitant.
RopiniroleThe metabolism of Halofantrine can be decreased when combined with Ropinirole.
RosiglitazoneThe metabolism of Halofantrine can be decreased when combined with Rosiglitazone.
SaquinavirThe serum concentration of Halofantrine can be increased when it is combined with Saquinavir.
SecobarbitalThe metabolism of Halofantrine can be increased when combined with Secobarbital.
SertralineThe metabolism of Halofantrine can be decreased when combined with Sertraline.
SildenafilThe metabolism of Halofantrine can be decreased when combined with Sildenafil.
SiltuximabThe serum concentration of Halofantrine can be decreased when it is combined with Siltuximab.
SimeprevirThe serum concentration of Halofantrine can be increased when it is combined with Simeprevir.
St. John's WortThe serum concentration of Halofantrine can be decreased when it is combined with St. John's Wort.
StiripentolThe serum concentration of Halofantrine can be increased when it is combined with Stiripentol.
SulfamethoxazoleThe metabolism of Halofantrine can be decreased when combined with Sulfamethoxazole.
SulfisoxazoleThe metabolism of Halofantrine can be decreased when combined with Sulfisoxazole.
TamoxifenThe metabolism of Halofantrine can be decreased when combined with Tamoxifen.
TelaprevirThe serum concentration of Halofantrine can be increased when it is combined with Telaprevir.
TelithromycinThe serum concentration of Halofantrine can be increased when it is combined with Telithromycin.
TerbinafineThe metabolism of Halofantrine can be decreased when combined with Terbinafine.
TeriflunomideThe metabolism of Halofantrine can be decreased when combined with Teriflunomide.
ThiethylperazineThe serum concentration of Thiethylperazine can be increased when it is combined with Halofantrine.
ThioridazineThe serum concentration of Thioridazine can be increased when it is combined with Halofantrine.
ThioridazineThe metabolism of Halofantrine can be decreased when combined with Thioridazine.
TiclopidineThe metabolism of Halofantrine can be decreased when combined with Ticlopidine.
TipranavirThe metabolism of Halofantrine can be decreased when combined with Tipranavir.
TocilizumabThe serum concentration of Halofantrine can be decreased when it is combined with Tocilizumab.
TranylcypromineThe metabolism of Halofantrine can be decreased when combined with Tranylcypromine.
TrifluoperazineThe serum concentration of Trifluoperazine can be increased when it is combined with Halofantrine.
TriflupromazineThe serum concentration of Triflupromazine can be increased when it is combined with Halofantrine.
TrimethoprimThe metabolism of Halofantrine can be decreased when combined with Trimethoprim.
VenlafaxineThe metabolism of Halofantrine can be decreased when combined with Venlafaxine.
VerapamilThe metabolism of Halofantrine can be decreased when combined with Verapamil.
VoriconazoleThe serum concentration of Halofantrine can be increased when it is combined with Voriconazole.
ZiprasidoneThe metabolism of Halofantrine can be decreased when combined with Ziprasidone.
Food Interactions
  • Take on an empty stomach, bioavailability is 6 times higher when drug is taken with high fat meals. Risks of cardiac toxicity are then increased.

Targets

1. Fe(II)-protoporphyrin IX
Kind
Small molecule
Organism
Plasmodium falciparum
Pharmacological action
yes
Actions
antagonist
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Blauer G: Interaction of ferriprotoporphyrin IX with the antimalarials amodiaquine and halofantrine. Biochem Int. 1988 Oct;17(4):729-34. [PubMed:3240320 ]
  4. Egan TJ, Hempelmann E, Mavuso WW: Characterisation of synthetic beta-haematin and effects of the antimalarial drugs quinidine, halofantrine, desbutylhalofantrine and mefloquine on its formation. J Inorg Biochem. 1999 Jan-Feb;73(1-2):101-7. [PubMed:10212997 ]
  5. Famin O, Krugliak M, Ginsburg H: Kinetics of inhibition of glutathione-mediated degradation of ferriprotoporphyrin IX by antimalarial drugs. Biochem Pharmacol. 1999 Jul 1;58(1):59-68. [PubMed:10403519 ]
  6. de Villiers KA, Marques HM, Egan TJ: The crystal structure of halofantrine-ferriprotoporphyrin IX and the mechanism of action of arylmethanol antimalarials. J Inorg Biochem. 2008 Aug;102(8):1660-7. doi: 10.1016/j.jinorgbio.2008.04.001. Epub 2008 Apr 20. [PubMed:18508124 ]
  7. Fitch CD: Ferriprotoporphyrin IX, phospholipids, and the antimalarial actions of quinoline drugs. Life Sci. 2004 Mar 5;74(16):1957-72. [PubMed:14967191 ]
Kind
Protein
Organism
Human
Pharmacological action
yes
Actions
inhibitor
General Function:
Voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization
Specific Function:
Pore-forming (alpha) subunit of voltage-gated inwardly rectifying potassium channel. Channel properties are modulated by cAMP and subunit assembly. Mediates the rapidly activating component of the delayed rectifying potassium current in heart (IKr). Isoforms USO have no channel activity by themself, but modulates channel characteristics by forming heterotetramers with other isoforms which are r...
Gene Name:
KCNH2
Uniprot ID:
Q12809
Molecular Weight:
126653.52 Da
References
  1. Tie H, Walker BD, Singleton CB, Valenzuela SM, Bursill JA, Wyse KR, Breit SN, Campbell TJ: Inhibition of HERG potassium channels by the antimalarial agent halofantrine. Br J Pharmacol. 2000 Aug;130(8):1967-75. [PubMed:10952689 ]
  2. Mbai M, Rajamani S, January CT: The anti-malarial drug halofantrine and its metabolite N-desbutylhalofantrine block HERG potassium channels. Cardiovasc Res. 2002 Sep;55(4):799-805. [PubMed:12176129 ]
Kind
Protein
Organism
Plasmodium falciparum
Pharmacological action
unknown
Actions
inhibitor
General Function:
Aspartic-type endopeptidase activity
Specific Function:
Not Available
Gene Name:
Not Available
Uniprot ID:
P46925
Molecular Weight:
51489.41 Da
References
  1. Friedman R, Caflisch A: Discovery of plasmepsin inhibitors by fragment-based docking and consensus scoring. ChemMedChem. 2009 Aug;4(8):1317-26. doi: 10.1002/cmdc.200900078. [PubMed:19472268 ]

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
substrateinhibitor
General Function:
Steroid hydroxylase activity
Specific Function:
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:
CYP2D6
Uniprot ID:
P10635
Molecular Weight:
55768.94 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
  2. Drug Interactions: Cytochrome P450 Drug Interaction Table [Link]
Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
substrate
General Function:
Vitamin d3 25-hydroxylase activity
Specific Function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiot...
Gene Name:
CYP3A4
Uniprot ID:
P08684
Molecular Weight:
57342.67 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
substrate
General Function:
Oxygen binding
Specific Function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:
CYP3A5
Uniprot ID:
P20815
Molecular Weight:
57108.065 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
substrate
General Function:
Steroid hydroxylase activity
Specific Function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. In the epoxidation of arachidonic acid it generates only 14,15- and 11,12-cis-epoxyeicosatrienoic acids. It is the principal enzyme...
Gene Name:
CYP2C8
Uniprot ID:
P10632
Molecular Weight:
55824.275 Da
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
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Drug created on June 13, 2005 07:24 / Updated on August 17, 2016 12:23