VICRIVIROC MALEATE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Mixture
UNII EP3QG127N9

Structure

InChI Key GXINKQQWHLIBJA-UCIBKFKQSA-N
Smiles COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C28H38F3N5O2.C4H4O4/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;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H42F3N5O6
Molecular Weight 649.71
AlogP 4.5
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 61.8
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
C-C chemokine receptor type 5 antagonist ANTAGONIST PubMed

Target Conservation

Protein: C-C chemokine receptor type 5
Description: C-C chemokine receptor type 5
Organism : Homo sapiens
P51681 ENSG00000160791

Cross References

Resources Reference
ChEMBL CHEMBL2107384
FDA SRS EP3QG127N9
PubChem 6451165
CONTENTS