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Ligand

NameCHEMBL328786
Molecular formulaC20H15NO5S
IUPAC name(E)-3-[2-nitro-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enoic acid
Molecular weight381.402
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50065528
(E)-6'-Nitro-3'-(3-thienylmethoxy)stilbene-alpha-carboxylic acid
(E)-3-[2-Nitro-5-(thiophen-3-ylmethoxy)-phenyl]-2-phenyl-acrylic acid
Inchi KeyAGOVSIKFPHYVCX-WOJGMQOQSA-N
Inchi IDInChI=1S/C20H15NO5S/c22-20(23)18(15-4-2-1-3-5-15)11-16-10-17(6-7-19(16)21(24)25)26-12-14-8-9-27-13-14/h1-11,13H,12H2,(H,22,23)/b18-11+
PubChem CID10714851
ChEMBLCHEMBL328786
IUPHARN/A
BindingDB50065528
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
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GLASS IDNameUniProtGeneSpeciesLength
5089Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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