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Ligand

NameCHEMBL93411
Molecular formulaC20H16ClNO4S
IUPAC name(E)-2-(2-chlorophenyl)-3-[2-nitro-5-(thiophen-3-ylmethoxy)phenyl]prop-2-en-1-ol
Molecular weight401.861
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
Synonyms(E)-2-(2-Chloro-phenyl)-3-[2-nitro-5-(thiophen-3-ylmethoxy)-phenyl]-prop-2-en-1-ol
BDBM50065537
(E)-3-[3-(3-Thienylmethoxy)-6-nitrophenyl]-2-(2-chlorophenyl)-2-propene-1-ol
Inchi KeyANMVATUFZROAEI-SXGWCWSVSA-N
Inchi IDInChI=1S/C20H16ClNO4S/c21-19-4-2-1-3-18(19)16(11-23)9-15-10-17(5-6-20(15)22(24)25)26-12-14-7-8-27-13-14/h1-10,13,23H,11-12H2/b16-9-
PubChem CID10716071
ChEMBLCHEMBL93411
IUPHARN/A
BindingDB50065537
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
9696Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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