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Ligand

NameCHEMBL2069586
Molecular formulaC22H21N5OS
IUPAC name(2S)-3-phenyl-N-[3-(1H-pyrazol-4-yl)phenyl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
Molecular weight403.504
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50390606
SCHEMBL2683161
Inchi KeyBDOXDJUJDRXRLK-NRFANRHFSA-N
Inchi IDInChI=1S/C22H21N5OS/c28-22(27-19-8-4-7-17(10-19)18-11-25-26-12-18)21(9-16-5-2-1-3-6-16)23-13-20-14-29-15-24-20/h1-8,10-12,14-15,21,23H,9,13H2,(H,25,26)(H,27,28)/t21-/m0/s1
PubChem CID67495836
ChEMBLCHEMBL2069586
IUPHARN/A
BindingDB50390606
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
21127Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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