Cenicriviroc

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Cenicriviroc
Accession Number
DB11758
Type
Small Molecule
Groups
Investigational
Description

Cenicriviroc has been used in trials studying the treatment of HIV-infection/AIDS, AIDS Dementia Complex, Nonalcoholic Steatohepatitis, Human Immunodeficiency Virus, and HIV-1-Associated Cognitive Motor Complex.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Cenicriviroc MesylateR96TV84T21497223-28-6IXPBPUPDRDCRSY-YLZLUMLXSA-N
Categories
UNII
15C116UA4Y
CAS number
497223-25-3
Weight
Average: 696.95
Monoisotopic: 696.370927344
Chemical Formula
C41H52N4O4S
InChI Key
PNDKCRDVVKJPKG-WHERJAGFSA-N
InChI
InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
IUPAC Name
8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-{4-[(S)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide
SMILES
CCCCOCCOC1=CC=C(C=C1)C1=CC=C2N(CC(C)C)CCC\C(=C/C2=C1)C(=O)NC1=CC=C(C=C1)[S@@+]([O-])CC1=CN=CN1CCC

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Adenovirus type 7 vaccine live.
Anthrax vaccineThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Anthrax vaccine.
Bacillus calmette-guerin substrain connaught live antigenThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Bacillus calmette-guerin substrain connaught live antigen.
Bacillus calmette-guerin substrain danish 1331 live antigenThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Bacillus calmette-guerin substrain danish 1331 live antigen.
Bacillus calmette-guerin substrain tice live antigenThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Bacillus calmette-guerin substrain tice live antigen.
BCG vaccineThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with BCG vaccine.
Human adenovirus e serotype 4 strain cl-68578 antigenThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Human adenovirus e serotype 4 strain cl-68578 antigen.
Rubella virus vaccineThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Rubella virus vaccine.
Typhoid Vaccine Live Ty21aThe therapeutic efficacy of Cenicriviroc can be decreased when used in combination with Typhoid Vaccine Live Ty21a.
Varicella Zoster Vaccine (Live/Attenuated)The therapeutic efficacy of Varicella Zoster Vaccine (Live/Attenuated) can be decreased when used in combination with Cenicriviroc.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11285792
PubChem Substance
347828112
ChemSpider
9460783
ChEMBL
CHEMBL2110727
Wikipedia
Cenicriviroc

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHuman Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)1
1CompletedTreatmentHealthy Volunteers2
1CompletedTreatmentHepatic Impairment1
2CompletedTreatmentAIDS-Related Dementia Complex / HIV-1-Associated Cognitive Motor Complex / Human Immunodeficiency Virus (HIV)1
2CompletedTreatmentInfection, Human Immunodeficiency Virus I1
2CompletedTreatmentNon-Alcoholic Fatty Liver Disease (NAFLD) / Prediabetic State / Type 2 Diabetes Mellitus1
2CompletedTreatmentNonalcoholic Steatohepatitis1
2CompletedTreatmentPrimary Sclerosing Cholangitis (PSC)1
2Enrolling by InvitationTreatmentLiver Cirrhosis / Non-Alcoholic Fatty Liver Disease (NAFLD) / Nonalcoholic Steatohepatitis1
2RecruitingTreatmentNon-Alcoholic Steatohepatitis1
3RecruitingTreatmentNonalcoholic Steatohepatitis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000769 mg/mLALOGPS
logP6.23ALOGPS
logP7.57ChemAxon
logS-6ALOGPS
pKa (Strongest Acidic)13.83ChemAxon
pKa (Strongest Basic)6.59ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area85.69 Å2ChemAxon
Rotatable Bond Count17ChemAxon
Refractivity209.31 m3·mol-1ChemAxon
Polarizability83.53 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzazocines
Direct Parent
Benzazocines
Alternative Parents
Anilides / Phenyl sulfoxides / Dialkylarylamines / N-arylamides / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / N-substituted imidazoles / Heteroaromatic compounds / Amino acids and derivatives
show 8 more
Substituents
Benzazocine / Phenyl sulfoxide / Anilide / Phenoxy compound / Phenol ether / Dialkylarylamine / Tertiary aliphatic/aromatic amine / N-arylamide / Alkyl aryl ether / N-substituted imidazole
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:45 / Updated on June 04, 2019 07:26