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Ligand

NameCHEMBL3394008
Molecular formulaC18H22N6O3S
IUPAC name4-methylsulfonyl-N-[3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]-1H-pyrrole-2-carboxamide
Molecular weight402.473
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.7
SynonymsBDBM50061380
Inchi KeyAIQIQRHMEFDXQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N6O3S/c1-28(26,27)13-11-15(20-12-13)17(25)22-18-21-14-5-4-6-19-16(14)24(18)10-9-23-7-2-3-8-23/h4-6,11-12,20H,2-3,7-10H2,1H3,(H,21,22,25)
PubChem CID118725858
ChEMBLCHEMBL3394008
IUPHARN/A
BindingDB50061380
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441937Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
441936Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
441938Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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