Identification
NameFormycin
Accession NumberDB02281  (EXPT01453)
TypeSmall Molecule
GroupsExperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
External IDs Not Available
Product Ingredients Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNIINot Available
CAS number6742-12-7
WeightAverage: 267.2413
Monoisotopic: 267.096753929
Chemical FormulaC10H13N5O4
InChI KeyKBHMEHLJSZMEMI-KSYZLYKTSA-N
InChI
InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1
IUPAC Name
(2S,3R,4S,5R)-2-{7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl}-5-(hydroxymethyl)oxolane-3,4-diol
SMILES
[H][[email protected]]1(CO)O[[email protected]@]([H])(C2=C3N=CN=C(N)C3=NN2)[[email protected]]([H])(O)[[email protected]]1([H])O
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
S-methyl-5'-thioadenosine phosphorylaseProteinunknownNot AvailableHumanQ13126 details
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidaseProteinunknownNot AvailableEscherichia coli (strain K12)P0AF12 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Formycin.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Formycin.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Formycin.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Formycin.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Formycin.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Formycin.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Formycin.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Formycin.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Formycin.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Formycin.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Formycin.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Formycin.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials Not Available
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility10.3 mg/mLALOGPS
logP-1.2ALOGPS
logP-2.3ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)11.89ChemAxon
pKa (Strongest Basic)3.38ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area150.4 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity64.16 m3·mol-1ChemAxon
Polarizability25.12 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9715
Blood Brain Barrier+0.8673
Caco-2 permeable-0.7034
P-glycoprotein substrateNon-substrate0.681
P-glycoprotein inhibitor INon-inhibitor0.9671
P-glycoprotein inhibitor IINon-inhibitor0.9912
Renal organic cation transporterNon-inhibitor0.9336
CYP450 2C9 substrateNon-substrate0.9038
CYP450 2D6 substrateNon-substrate0.8214
CYP450 3A4 substrateNon-substrate0.6511
CYP450 1A2 substrateNon-inhibitor0.7932
CYP450 2C9 inhibitorNon-inhibitor0.921
CYP450 2D6 inhibitorNon-inhibitor0.9317
CYP450 2C19 inhibitorNon-inhibitor0.8888
CYP450 3A4 inhibitorNon-inhibitor0.8952
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9402
Ames testNon AMES toxic0.5251
CarcinogenicityNon-carcinogens0.8915
BiodegradationNot ready biodegradable0.9953
Rat acute toxicity2.2480 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9248
hERG inhibition (predictor II)Non-inhibitor0.9303
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
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
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic oxygen compounds
Sub ClassOrganooxygen compounds
Direct ParentC-glycosyl compounds
Alternative ParentsPentoses / Pyrazolopyrimidines / Aminopyrimidines and derivatives / Primary aromatic amines / Imidolactams / Pyrazoles / Oxolanes / Heteroaromatic compounds / Secondary alcohols / Oxacyclic compounds
SubstituentsC-glycosyl compound / Pentose monosaccharide / Pyrazolopyrimidine / Aminopyrimidine / Monosaccharide / Imidolactam / Pyrimidine / Primary aromatic amine / Azole / Heteroaromatic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptorsformycin (CHEBI:42452 )

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
S-methyl-5-thioadenosine phosphorylase activity
Specific Function:
Catalyzes the reversible phosphorylation of S-methyl-5'-thioadenosine (MTA) to adenine and 5-methylthioribose-1-phosphate. Involved in the breakdown of MTA, a major by-product of polyamine biosynthesis. Responsible for the first step in the methionine salvage pathway after MTA has been generated from S-adenosylmethionine. Has broad substrate specificity with 6-aminopurine nucleosides as preferr...
Gene Name:
MTAP
Uniprot ID:
Q13126
Uniprot Name:
S-methyl-5'-thioadenosine phosphorylase
Molecular Weight:
31235.76 Da
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 ]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
unknown
General Function:
Methylthioadenosine nucleosidase activity
Specific Function:
Catalyzes the irreversible cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH/AdoHcy) to adenine and the corresponding thioribose, 5'-methylthioribose and S-ribosylhomocysteine, respectively. Can also use 5'-isobutylthioadenosine, 5'-n-butylthioadenosine, S-adenosyl-D-homocysteine, decarboxylated adenosylhomocysteine, deaminated adenosylhomocyst...
Gene Name:
mtnN
Uniprot ID:
P0AF12
Uniprot Name:
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Molecular Weight:
24353.725 Da
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 ]
Drug created on June 13, 2005 07:24 / Updated on September 01, 2017 10:50