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Ligand

NameCHEMBL200329
Molecular formulaC24H25N3O5S
IUPAC name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Molecular weight467.54
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
Synonyms4-ethoxy-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
BDBM50178213
SCHEMBL3366825
Inchi KeyBMXMBAWTAZIUJK-PCLIKHOPSA-N
Inchi IDInChI=1S/C24H25N3O5S/c1-3-32-21-12-14-22(15-13-21)33(30,31)27(20-10-8-18(2)9-11-20)17-24(29)26-25-16-19-6-4-5-7-23(19)28/h4-16,28H,3,17H2,1-2H3,(H,26,29)/b25-16+
PubChem CID135475964
ChEMBLCHEMBL200329
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
558107Oxytocin receptorP30559OXTRHomo sapiens (Human)389
558108Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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