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Ligand

NameMLS000882886
Molecular formulaC25H26Cl2N2O2
IUPAC name(4aS,8R,8aS)-2-[(3,4-dichlorophenyl)methyl]-1-oxo-N-(2-phenylethyl)-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
Molecular weight457.395
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.8
SynonymsHMS2228N21
NCGC00187247-01
KUC102351N
SMR000525450
CHEMBL1538748
Inchi KeyACQXZECTJJPWLS-VIZSFHNOSA-N
Inchi IDInChI=1S/C25H26Cl2N2O2/c26-21-10-9-18(15-22(21)27)16-29-14-12-19-7-4-8-20(23(19)25(29)31)24(30)28-13-11-17-5-2-1-3-6-17/h1-7,9-10,15,19-20,23H,8,11-14,16H2,(H,28,30)/t19-,20-,23+/m1/s1
PubChem CID24747513
ChEMBLCHEMBL1538748
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
1804Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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