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Ligand

NameMLS001017764
Molecular formulaC24H19N3O4S
IUPAC name[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate
Molecular weight445.493
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
Synonyms730990-52-0
HMS2636P24
[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-(2-cyanoethanoylamino)benzoate
AKOS000859201
4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester
[ Show all ]
Inchi KeyBKZKGGRNJUJESN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19N3O4S/c25-15-14-22(28)26-18-12-10-17(11-13-18)24(30)31-16-23(29)27-20-8-4-5-9-21(20)32-19-6-2-1-3-7-19/h1-13H,14,16H2,(H,26,28)(H,27,29)
PubChem CID2400177
ChEMBLCHEMBL1302969
IUPHARN/A
BindingDB61544
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
26327G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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