NAV

Cenicriviroc

This drug entry is astuband 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
MOL SDF PDB SMILES InChI
Similar Structures
Weight
Average: 696.95
莫noisotopic: 696.370927344
Chemical Formula
C41H52N4O4S
Synonyms
  • Cénicriviroc
  • Cenicriviroc
  • Cenicrivirocum
External IDs
  • TBR 652

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Target Actions Organism
UC-C chemokine receptor type 2
inhibitor
 Humans
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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
Adenovirus 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 伤寒疫苗住c的治疗效果an 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.
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Food Interactions
Not Available

Products

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Product Ingredients
Ingredient UNII CAS InChI Key
Cenicriviroc mesylate R96TV84T21 497223-28-6 IXPBPUPDRDCRSY-YLZLUMLXSA-N

Categories

Drug Categories
Chemical TaxonomyProvided byClassyfire
Description
这种化合物属于类的有机排版ounds 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
莫lecular 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
PubChem Compound
11285792
PubChem Substance
347828112
ChemSpider
9460783
ChEMBL
CHEMBL2110727
Wikipedia
Cenicriviroc

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 艾滋病痴呆复杂/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 Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 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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Details 1.C-C chemokine receptor type 2
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
莫lecular Weight
41914.265 Da
References
  1. 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