CENICRIVIROC

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 15C116UA4Y

Structure
InChI Key PNDKCRDVVKJPKG-WHERJAGFSA-N
Smile CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C41H52N4O4S
Molecular Weight 696.96
AlogP 8.74
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 85.69
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 50.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST C-C chemokine receptor type 2 antagonist PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 6-6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Cholangitis, Sclerosing 2 D015209 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Infections 1 D007239 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 497223-25-3
ChEBI 149636
ChEMBL CHEMBL2110727
DrugBank DB11758
FDA SRS 15C116UA4Y
Guide to Pharmacology 801
PubChem 11285792
SureChEMBL SCHEMBL3157748
CONTENTS