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Ligand

NameCHEMBL1823847
Molecular formulaC24H22ClN5O3
IUPAC nameN-(2-chlorophenyl)-4-[3-(3-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
Molecular weight463.922
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50352402
Inchi KeyAGQWQTRMTRWJCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22ClN5O3/c1-32-20-14-16-6-2-4-8-18(16)26-21(20)22-28-23(33-29-22)15-10-12-30(13-11-15)24(31)27-19-9-5-3-7-17(19)25/h2-9,14-15H,10-13H2,1H3,(H,27,31)
PubChem CID56682554
ChEMBLCHEMBL1823847
IUPHARN/A
BindingDB50352402
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
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GLASS IDNameUniProtGeneSpeciesLength
5130Smoothened homologQ99835SMOHomo sapiens (Human)787

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