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Ligand

NameCHEMBL382733
Molecular formulaC26H37NO2
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-hexylpyridin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight395.587
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP7.3
SynonymsBDBM50173435
(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Hexyl-pyridin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
Inchi KeyBUSCNAOZCNJILN-UVQWQBNFSA-N
Inchi IDInChI=1S/C26H37NO2/c1-3-4-5-6-11-20-12-9-13-21(27-20)15-16-23-22-14-8-7-10-19(22)17-24-25(23)18(2)29-26(24)28/h9,12-13,15-16,18-19,22-25H,3-8,10-11,14,17H2,1-2H3/b16-15+/t18-,19+,22-,23+,24-,25+/m1/s1
PubChem CID11703925
ChEMBLCHEMBL382733
IUPHARN/A
BindingDB50173435
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
33319Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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