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Ligand

NameCHEMBL2069583
Molecular formulaC23H23N5OS
IUPAC name(2S)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
Molecular weight417.531
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50390603
Inchi KeyHQDCLIWITZGYCH-QFIPXVFZSA-N
Inchi IDInChI=1S/C23H23N5OS/c1-28-11-10-21(27-28)18-8-5-9-19(13-18)26-23(29)22(12-17-6-3-2-4-7-17)24-14-20-15-30-16-25-20/h2-11,13,15-16,22,24H,12,14H2,1H3,(H,26,29)/t22-/m0/s1
PubChem CID70684555
ChEMBLCHEMBL2069583
IUPHARN/A
BindingDB50390603
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
121279Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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