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Ligand

NameCHEMBL3109584
Molecular formulaC30H35FN2O3
IUPAC nameN-[[(1R,3aR,4aS,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]methyl]propanamide
Molecular weight490.619
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50446338
Inchi KeyBUSFETYTWADDLF-MOGHIBBESA-N
Inchi IDInChI=1S/C30H35FN2O3/c1-3-28(34)33-16-19-7-11-25-22(13-19)15-27-29(18(2)36-30(27)35)26(25)12-10-24-9-8-21(17-32-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-27,29H,3,7,11,13,15-16H2,1-2H3,(H,33,34)/b12-10+/t18-,19-,22+,25-,26+,27-,29+/m1/s1
PubChem CID76317514
ChEMBLCHEMBL3109584
IUPHARN/A
BindingDB50446338
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
33322Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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