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Ligand

NameCHEMBL232120
Molecular formulaC18H21NO2S
IUPAC name(1R,3aR,8aS,9S,9aS)-1-methyl-9-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-3a,5,6,7,8,8a,9,9a-octahydro-1H-benzo[f][2]benzofuran-3-one
Molecular weight315.431
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsN/A
Inchi KeyBCYOQHCWSXARSU-GDOYCUJJSA-N
Inchi IDInChI=1S/C18H21NO2S/c1-11-17-14(6-7-16-19-8-9-22-16)13-5-3-2-4-12(13)10-15(17)18(20)21-11/h6-11,13-15,17H,2-5H2,1H3/b7-6+/t11-,13-,14+,15-,17+/m1/s1
PubChem CID44432701
ChEMBLCHEMBL232120
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20690Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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