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Ligand

NameCHEMBL1271353
Molecular formulaC29H35N3O5
IUPAC nameethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(5-methoxypyridin-2-yl)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]carbamate
Molecular weight505.615
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50329624
ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-methoxy-2,3''-bipyridin-6''-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-ylcarbamate
Inchi KeyBEFVKFGMVBIIAI-UBDLPIGKSA-N
Inchi IDInChI=1S/C29H35N3O5/c1-4-36-29(34)32-21-8-10-23-19(13-21)14-25-27(17(2)37-28(25)33)24(23)11-7-20-6-5-18(15-30-20)26-12-9-22(35-3)16-31-26/h5-7,9,11-12,15-17,19,21,23-25,27H,4,8,10,13-14H2,1-3H3,(H,32,34)/b11-7+/t17-,19+,21-,23-,24+,25-,27+/m1/s1
PubChem CID52946957
ChEMBLCHEMBL1271353
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21520Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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