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Ligand

NameCHEMBL383606
Molecular formulaC29H33NO4
IUPAC nameethyl 2-[6-[(E)-2-[(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl]ethenyl]pyridin-3-yl]benzoate
Molecular weight459.586
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.3
SynonymsBDBM50173434
2-{6-[(E)-2-((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-1-oxo-dodecahydro-naphtho[2,3-c]furan-4-yl)-vinyl]-pyridin-3-yl}-benzoic acid ethyl ester
Inchi KeyBVECYDMQNJEAAT-XXODKWSMSA-N
Inchi IDInChI=1S/C29H33NO4/c1-3-33-28(31)25-11-7-6-10-23(25)20-12-13-21(30-17-20)14-15-24-22-9-5-4-8-19(22)16-26-27(24)18(2)34-29(26)32/h6-7,10-15,17-19,22,24,26-27H,3-5,8-9,16H2,1-2H3/b15-14+/t18-,19+,22-,24+,26-,27+/m1/s1
PubChem CID11691128
ChEMBLCHEMBL383606
IUPHARN/A
BindingDB50173434
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
33647Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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