IBD Research Resource Center

BioID	bio3545
Name	LINVENCORVIR
ChEMBL ID	CHEMBL5095071
Molecular Formula	C29H35FN6O5S
Molecular Weight	598.7
Molecular Weight (Monoisotopic)	598.2374
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar18
Target Name	Serine/threonine-protein kinase cot (COT)
Synonyms	LINVENCORVIR\|RG-7907\|RG7907\|RO-7049389\|RO7049389
Smiles	CCOC(=O)C1=C(CN2CCN3C(=O)N(CC(C)(C)C(=O)O)C[C@@H]3C2)N=C(c2nccs2)N[C@H]1c1cccc(F)c1C
Inchi	InChI=1S/C29H35FN6O5S/c1-5-41-26(37)22-21(15-34-10-11-36-18(13-34)14-35(28(36)40)16-29(3,4)27(38)39)32-24(25-31-9-12-42-25)33-23(22)19-7-6-8-20(30)17(19)2/h6-9,12,18,23H,5,10-11,13-16H2,1-4H3,(H,32,33)(H,38,39)/t18-,23-/m0/s1
Inchi Key	YLJBFYZGSKMBEZ-MBSDFSHPSA-N
Molecular Species	ACID
Targets	9.0
Bioactivities	131.0
Np Likeness Score	-1.03
Records Key	['LINVENCORVIR', 'LINVENCORVIR', '19; RG7907', '39; RG7907', 'LINVENCORVIR']
Records Name	['LINVENCORVIR', 'LINVENCORVIR', '3-[(8aS)-7-{[(6S)-5-(ethoxycarbonyl)-6-(3-fluoro-2-methylphenyl)-2-(1,3-thiazol-2-yl)-3,6-dihydropyrimidin-4-yl]methyl}-3-oxo-octahydroimidazo[1,5-a]pyrazin-2-yl]-2,2-dimethylpropanoic acid', 'Linvencorvir; 3-[(8aS)-7-[[(4S)-5-Ethoxycarbonyl-4-(3-fluoro-2-methylphenyl)-2-thiazol-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethylpropanoic Acid', 'LINVENCORVIR']
Withdrawn Flag	False
Orphan	0