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Ligand

NameCHEMBL1823835
Molecular formulaC22H19ClN6O2
IUPAC nameN-(2-chloropyridin-3-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
Molecular weight434.884
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50352443
Inchi KeyBFWZTOPZYNMTBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClN6O2/c23-19-17(6-3-11-24-19)26-22(30)29-12-9-15(10-13-29)21-27-20(28-31-21)18-8-7-14-4-1-2-5-16(14)25-18/h1-8,11,15H,9-10,12-13H2,(H,26,30)
PubChem CID44628288
ChEMBLCHEMBL1823835
IUPHARN/A
BindingDB50352443
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22719Smoothened homologQ99835SMOHomo sapiens (Human)787

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