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Ligand

NameCHEMBL3400997
Molecular formulaC24H19N3O4S
IUPAC name4-[5-(2,1,3-benzothiadiazol-5-ylmethoxy)-2-cyanophenoxy]-4-phenylbutanoic acid
Molecular weight445.493
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.3
SynonymsN/A
Inchi KeyBRNLOCVNSLNZBE-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19N3O4S/c25-14-18-7-8-19(30-15-16-6-9-20-21(12-16)27-32-26-20)13-23(18)31-22(10-11-24(28)29)17-4-2-1-3-5-17/h1-9,12-13,22H,10-11,15H2,(H,28,29)
PubChem CID73669995
ChEMBLCHEMBL3400997
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
442881Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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