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Ligand

NameCHEMBL472485
Molecular formulaC24H27N3O2S
IUPAC name2-(2-phenoxyethylsulfanylmethyl)-5-[4-[(E)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]-1,3,4-oxadiazole
Molecular weight421.559
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL5638436
SCHEMBL5638441
Inchi KeyAOVYQQZRAIMKCT-VOTSOKGWSA-N
Inchi IDInChI=1S/C24H27N3O2S/c1-2-8-22(9-3-1)28-17-18-30-19-23-25-26-24(29-23)21-12-10-20(11-13-21)7-6-16-27-14-4-5-15-27/h1-3,6-13H,4-5,14-19H2/b7-6+
PubChem CID9823530
ChEMBLCHEMBL472485
IUPHARN/A
BindingDBN/A
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
10635Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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