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Ligand

NameCHEMBL1779415
Molecular formulaC29H27ClN4O7S
IUPAC name(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxypyridin-3-yl)-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
Molecular weight611.066
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50345137
(+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-(oxazol-2-yl)pyrrolidin-1-yl)indolin-2-one
Inchi KeyASOTVOFICYBESK-IZCXSWDTSA-N
Inchi IDInChI=1S/C29H27ClN4O7S/c1-38-19-9-11-25(24(17-19)39-2)42(36,37)34-22-10-8-18(30)16-21(22)29(28(34)35,20-6-4-12-31-26(20)40-3)33-14-5-7-23(33)27-32-13-15-41-27/h4,6,8-13,15-17,23H,5,7,14H2,1-3H3/t23?,29-/m0/s1
PubChem CID54583496
ChEMBLCHEMBL1779415
IUPHARN/A
BindingDB50345137
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13377Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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