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Ligand

NameCHEMBL377130
Molecular formulaC17H20ClN5O2S
IUPAC name1-(4-chlorophenyl)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-5-oxo-3-propan-2-ylpyrazol-4-yl]urea
Molecular weight393.89
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50186962
1-(4-chlorophenyl)-3-(1-(4,5-dihydrothiazol-2-yl)-3-isopropyl-2-methyl-5-oxo-2,5-dihydro-1H-pyrazol-4-yl)urea
Inchi KeyAZACRNWMNWJCAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20ClN5O2S/c1-10(2)14-13(15(24)23(22(14)3)17-19-8-9-26-17)21-16(25)20-12-6-4-11(18)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,20,21,25)
PubChem CID44413507
ChEMBLCHEMBL377130
IUPHARN/A
BindingDB50186962
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
17941N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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