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Ligand

NameSMR000633928
Molecular formulaC25H31N3O5S
IUPAC name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
Molecular weight485.599
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.5
SynonymsMLS001096966
MLS003881600
CHEMBL1453435
MolPort-007-888-697
HMS1900L22
[ Show all ]
Inchi KeyAAZSZTYKLFZUOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O5S/c1-17-8-11-24(33-3)22(14-17)26-25(30)20-7-4-12-27(16-20)34(31,32)21-9-10-23-19(15-21)6-5-13-28(23)18(2)29/h8-11,14-15,20H,4-7,12-13,16H2,1-3H3,(H,26,30)
PubChem CID16031780
ChEMBLCHEMBL1453435
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463026Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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