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Ligand

NameCHEMBL382830
Molecular formulaC32H34N2O4
IUPAC name2-[2-[(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]quinolin-6-yl]oxy-N-phenylacetamide
Molecular weight510.634
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50179581
(+)-2-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-oxo-dodecahydronaphtho[2,3-c]furan-4-yl)vinyl)quinolin-6-yloxy)-N-phenylacetamide
Inchi KeyBDBPAVHTWMVWHN-SORLVKKQSA-N
Inchi IDInChI=1S/C32H34N2O4/c1-20-31-27(26-10-6-5-7-21(26)18-28(31)32(36)38-20)15-13-24-12-11-22-17-25(14-16-29(22)33-24)37-19-30(35)34-23-8-3-2-4-9-23/h2-4,8-9,11-17,20-21,26-28,31H,5-7,10,18-19H2,1H3,(H,34,35)/b15-13+/t20-,21+,26-,27+,28-,31+/m1/s1
PubChem CID44409057
ChEMBLCHEMBL382830
IUPHARN/A
BindingDB50179581
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20774Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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