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Ligand

NameCHEMBL198375
Molecular formulaC26H28BrNO2
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(3-bromophenyl)pyridin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight466.419
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.8
SynonymsBDBM50173430
(3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(3-Bromo-phenyl)-pyridin-2-yl]-vinyl}-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
Inchi KeyBRSVGVIWEHXIAL-HLBWOJLBSA-N
Inchi IDInChI=1S/C26H28BrNO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(29)30-16)12-11-21-10-9-19(15-28-21)17-6-4-7-20(27)13-17/h4,6-7,9-13,15-16,18,22-25H,2-3,5,8,14H2,1H3/b12-11+/t16-,18+,22-,23+,24-,25+/m1/s1
PubChem CID11583548
ChEMBLCHEMBL198375
IUPHARN/A
BindingDB50173430
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
31322Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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