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Ligand

NameCHEMBL198175
Molecular formulaC27H31NO3
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(4-methoxyphenyl)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 weight417.549
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.1
Synonyms(3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(4-Methoxy-phenyl)-pyridin-2-yl]-vinyl}-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
BDBM50173426
Inchi KeyBHDWIWHASKLYGV-AAWXZMRRSA-N
Inchi IDInChI=1S/C27H31NO3/c1-17-26-24(23-6-4-3-5-19(23)15-25(26)27(29)31-17)14-11-21-10-7-20(16-28-21)18-8-12-22(30-2)13-9-18/h7-14,16-17,19,23-26H,3-6,15H2,1-2H3/b14-11+/t17-,19+,23-,24+,25-,26+/m1/s1
PubChem CID11611425
ChEMBLCHEMBL198175
IUPHARN/A
BindingDB50173426
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
23669Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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