NAV

Cenicriviroc

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
Similar Structures
Weight
Average: 696.95
Monoisotopic: 696.370927344
Chemical Formula
C41H52N4O4S
Synonyms
  • Cénicriviroc
  • Cenicriviroc
  • Cenicrivirocum
External IDs
  • TBR 652
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
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/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.
DrugInteraction
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interactions in your software
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Cenicriviroc.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Cenicriviroc.
Bacillus calmette-guerin substrain connaught live antigenThe 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 antigenThe 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 antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Cenicriviroc.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Cenicriviroc mesylateR96TV84T21497223-28-6IXPBPUPDRDCRSY-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
PubChem Compound
11285792
PubChem Substance
347828112
ChemSpider
9460783
ChEMBL
CHEMBL2110727
Wikipedia
Cenicriviroc

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentCoronavirus Disease 2019 (COVID‑19)1
3TerminatedTreatmentNon Alcoholic Steatohepatitis (NASH)1
2CompletedTreatmentAIDS-Related Dementia Complex / HIV-1-Associated Cognitive Motor Complex / Human Immunodeficiency Virus (HIV) Infections1
2CompletedTreatmentFatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Impaired Glucose Tolerance / Type 2 Diabetes Mellitus1
2CompletedTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1

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)6.39Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.69 Å2Chemaxon
Rotatable Bond Count17Chemaxon
Refractivity209.31 m3·mol-1Chemaxon
Polarizability81.43 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/MSsplash10-0002-4001159000-b623c32dec2f8c3cb177
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000b-2000093000-fd205661d2f32d83a707
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0537-9000075000-f28fea2fa61e90b07516
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006t-1000952000-d29e2afa8ddf966c5df4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000y-9000076000-a59c91d48c626f20d1ba
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01bi-1100392000-217dd21af9393e4e5f1d
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-248.84747
predicted
DeepCCS 1.0 (2019)
[M+H]+250.93266
predicted
DeepCCS 1.0 (2019)
[M+Na]+256.67307
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. 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
Molecular 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