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Ligand

NameCHEMBL374503
Molecular formulaC26H27Cl2NO3
IUPAC name(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(2,3-dichlorophenyl)pyridin-2-yl]ethenyl]-6-hydroxy-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-3-one
Molecular weight472.406
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.7
Synonyms(3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-methyl-4-[(E)-2-[5-(2,3-dichlorophenyl)-2-pyridinyl]ethenyl]naphtho-[2,3-c]furan-1(3H)-one
BDBM50202067
Inchi KeyCALHAOYKYUXRJO-DLZYVLAFSA-N
Inchi IDInChI=1S/C26H27Cl2NO3/c1-14-24-21(19-10-8-18(30)11-16(19)12-22(24)26(31)32-14)9-7-17-6-5-15(13-29-17)20-3-2-4-23(27)25(20)28/h2-7,9,13-14,16,18-19,21-22,24,30H,8,10-12H2,1H3/b9-7+/t14-,16+,18-,19-,21+,22-,24+/m1/s1
PubChem CID44418849
ChEMBLCHEMBL374503
IUPHARN/A
BindingDB50202067
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37285Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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