VICRIVIROC

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TL515DW4QS

Structure
InChI Key CNPVJJQCETWNEU-CYFREDJKSA-N
Smile COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C
InChI
InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H38F3N5O2
Molecular Weight 533.64
AlogP 4.5
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 61.8
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -25.87-6.58
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 0.45-3 - 2.1-2.5 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
Acquired Immunodeficiency Syndrome 3 D000163 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 306296-47-9
ChEBI 94843
ChEMBL CHEMBL82301
DrugBank DB06652
EPA CompTox DTXSID40897719
FDA SRS TL515DW4QS
Guide to Pharmacology 807
PubChem 3009355
SureChEMBL SCHEMBL118885
ZINC ZINC000022010579
CONTENTS