This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Cenicriviroc
- DrugBank Accession Number
- DB11758
- Background
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.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Cenicriviroc (DB11758)
- Weight
- Average: 696.95
Monoisotopic: 696.370927344 - Chemical Formula
- C41H52N4O4S
- Synonyms
- Cénicriviroc
- Cenicriviroc
- Cenicrivirocum
- External IDs
- TBR 652
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UC-C chemokine receptor type 2 inhibitorHumans - 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Cenicriviroc. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Cenicriviroc. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Cenicriviroc. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Cenicriviroc. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Cenicriviroc. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Cenicriviroc. Human adenovirus e serotype 4 strain cl-68578 antigen The therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Cenicriviroc. Rubella virus vaccine The therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Cenicriviroc. Typhoid Vaccine Live The therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with Cenicriviroc. Varicella zoster vaccine (live/attenuated) The therapeutic efficacy of Varicella zoster vaccine (live/attenuated) can be decreased when used in combination with Cenicriviroc. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Cenicriviroc mesylate R96TV84T21 497223-28-6 IXPBPUPDRDCRSY-YLZLUMLXSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- Alkyl aryl ether / Amine / Amino acid or derivatives / Anilide / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzazocine / Carbonyl group / Carboxamide group show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 15C116UA4Y
- CAS number
- 497223-25-3
- 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
- (5E)-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=CC2=C(C=C1)N(CC(C)C)CCC\C(=C/2)C(=O)NC1=CC=C(C=C1)[S@@](=O)CC1=CN=CN1CCC
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11285792
- PubChem Substance
- 347828112
- ChemSpider
- 9460783
- ChEMBL
- CHEMBL2110727
- Wikipedia
- Cenicriviroc
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Coronavirus Disease 2019 (COVID‑19) 1 3 Terminated Treatment Non Alcoholic Steatohepatitis (NASH) 1 2 Completed Treatment AIDS-Related Dementia Complex / HIV-1-Associated Cognitive Motor Complex / Human Immunodeficiency Virus (HIV) Infections 1 2 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Impaired Glucose Tolerance / Type 2 Diabetes Mellitus 1 2 Completed Treatment Human Immunodeficiency Virus Type 1 (HIV-1) Infection 1 2 Completed Treatment Non Alcoholic Steatohepatitis (NASH) 2 2 Completed Treatment Primary Sclerosing Cholangitis (PSC) 1 2 Not Yet Recruiting Treatment Human Immunodeficiency Virus (HIV) Infections 1 2 Terminated Treatment Cirrhosis of the Liver / Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Non Alcoholic Steatohepatitis (NASH) 1 2 Terminated Treatment Coronavirus Disease 2019 (COVID‑19) 1
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
Property Value Source Water Solubility 0.000769 mg/mL ALOGPS logP 6.23 ALOGPS logP 7.57 ChemAxon logS -6 ALOGPS pKa (Strongest Acidic) 13.83 ChemAxon pKa (Strongest Basic) 6.39 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 85.69 Å2 ChemAxon Rotatable Bond Count 17 ChemAxon Refractivity 209.31 m3·mol-1 ChemAxon Polarizability 81.43 Å3 ChemAxon Number of Rings 5 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Protein homodimerization activity
- Specific Function
- Receptor for the CCL2, CCL7 and CCL13 chemokines. Transduces a signal by increasing intracellular calcium ion levels. Alternative coreceptor with CD4 for HIV-1 infection.
- Gene Name
- CCR2
- Uniprot ID
- P41597
- Uniprot Name
- C-C chemokine receptor type 2
- Molecular Weight
- 41914.265 Da
References
- Fiorucci S, Biagioli M, Baldoni M, Ricci P, Sepe V, Zampella A, Distrutti E: The identification of farnesoid X receptor modulators as treatment options for nonalcoholic fatty liver disease. Expert Opin Drug Discov. 2021 Oct;16(10):1193-1208. doi: 10.1080/17460441.2021.1916465. Epub 2021 May 5. [Article]
Drug created at October 20, 2016 20:45 / Updated at May 04, 2022 16:27