Incb-086550
(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
Molecular Identity
Incb-086550
(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID: 135146787
2D Structure
Properties
C41H39N7O4
Molecular Formula
693.80
Molecular Weight
g/mol
693.3064
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
152
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
1280
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CCC(C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCC(C8)O)CIsomeric SMILES
SMILES: CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CC[C@H](C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CC[C@H](C8)O)CSynonyms(20)
INCB086550INCB-086550(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid3-Pyrrolidinecarboxylic acid, 1-((7-cyano-2-(3'-((3-(((3R)-3-hydroxy-1-pyrrolidinyl)methyl)-1,7-naphthyridin-8-yl)amino)-2,2'-dimethyl(1,1'-biphenyl)-3-yl)-5-benzoxazolyl)methyl)-, (3R)-(3R)-1-((7-cyano-2-(3-(3-((3-(((3R)-3-hydroxypyrrolidin-1-yl)methyl)-1,7-naphthyridin-8-yl)amino)-2-methylphenyl)-2-methylphenyl)-1,3-benzoxazol-5-yl)methyl)pyrrolidine-3-carboxylic acidRefChem:148084INCB 86550INCB-86550PD-L1 Inhibitor INCB086550INCB-086550 [WHO-DD]PD-1 Ligand 1 Inhibitor INCB0865502230911-59-6T8B91S15VFPD-1/PD-L1-IN-8INCB085660
Data from PubChem (NCBI)
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