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Ligand

NameCHEMBL2431062
Molecular formulaC22H22N6OS
IUPAC name(2S)-N-(2-methyl-5-pyridin-4-ylpyrazol-3-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
Molecular weight418.519
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50440714
Inchi KeyGDJKIMJXIWQQCF-FQEVSTJZSA-N
Inchi IDInChI=1S/C22H22N6OS/c1-28-21(12-19(27-28)17-7-9-23-10-8-17)26-22(29)20(11-16-5-3-2-4-6-16)25-14-18-13-24-15-30-18/h2-10,12-13,15,20,25H,11,14H2,1H3,(H,26,29)/t20-/m0/s1
PubChem CID73349343
ChEMBLCHEMBL2431062
IUPHARN/A
BindingDB50440714
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
93657Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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