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Ligand

NameCHEMBL500551
Molecular formulaC30H35FN2O4
IUPAC nameethyl N-[(1R,3aR,4aR,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]-N-methylcarbamate
Molecular weight506.618
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.5
SynonymsSCHEMBL13324646
BDBM50261114
Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]methylcarbamate
Inchi KeyAWKCXFASCWWOOA-CSQMIITRSA-N
Inchi IDInChI=1S/C30H35FN2O4/c1-4-36-30(35)33(3)24-11-13-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-10-23-9-8-20(17-32-23)19-6-5-7-22(31)14-19/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1
PubChem CID24878930
ChEMBLCHEMBL500551
IUPHARN/A
BindingDB50261114
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
16112Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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