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Ligand

NameMLS000882857
Molecular formulaC24H24Cl2N2O3
IUPAC name(4aS,8R,8aS)-2-[(3,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
Molecular weight459.367
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
SynonymsHMS2225B21
NCGC00186839-01
KUC102391N
SMR000525473
CHEMBL1868703
Inchi KeyADQHDXXMGWFJCL-PERKRYKHSA-N
Inchi IDInChI=1S/C24H24Cl2N2O3/c1-31-18-8-6-17(7-9-18)27-23(29)19-4-2-3-16-11-12-28(24(30)22(16)19)14-15-5-10-20(25)21(26)13-15/h2-3,5-10,13,16,19,22H,4,11-12,14H2,1H3,(H,27,29)/t16-,19-,22+/m1/s1
PubChem CID24747488
ChEMBLCHEMBL1868703
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2969Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463234Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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