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Ligand

NameCHEMBL2431061
Molecular formulaC23H20N4O3S2
IUPAC name2-[[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylthiophene-3-carboxylic acid
Molecular weight464.558
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.7
SynonymsBDBM50440701
Inchi KeyQCIDOEAESDHGMR-IBGZPJMESA-N
Inchi IDInChI=1S/C23H20N4O3S2/c28-21(19(10-15-4-2-1-3-5-15)26-13-17-12-25-14-31-17)27-22-18(23(29)30)11-20(32-22)16-6-8-24-9-7-16/h1-9,11-12,14,19,26H,10,13H2,(H,27,28)(H,29,30)/t19-/m0/s1
PubChem CID72945365
ChEMBLCHEMBL2431061
IUPHARN/A
BindingDB50440701
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
274840Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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