IBD Research Resource Center

BioID	bio2746
Name	VICRIVIROC MALEATE
ChEMBL ID	CHEMBL2107384
Molecular Formula	C32H42F3N5O6
Molecular Weight	649.71
Molecular Weight (Monoisotopic)	533.2978
Type	Small molecule
Max Phase	Phase 3
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	MK-4176\|SCH 417690\|SCH-417690\|SCH417690\|VICRIVIROC MALEATE\|Vicriviroc maleate
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
Inchi Key	GXINKQQWHLIBJA-UCIBKFKQSA-N
Molecular Species	NEUTRAL
Targets	28.0
Bioactivities	974.0
Np Likeness Score	-0.76
Records Key	['VICRIVIROC MALEATE', 'VICRIVIROC (MALEATE)', 'VICRIVIROC MALEATE', 'Vicriviroc (maleate)', 'Vicriviroc (maleate)', 'EUB0000971aMal', 'EUB0000971aMal', 'EUB0000971aMal', 'EUB0000971aMal']
Records Name	['VICRIVIROC MALEATE', 'VICRIVIROC (MALEATE)', 'VICRIVIROC MALEATE', 'Vicriviroc (maleate)', 'Vicriviroc (maleate)', 'Vicriviroc', 'Vicriviroc', 'Vicriviroc', 'Vicriviroc']
Withdrawn Flag	False
Orphan	0