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Ligand

NameCHEMBL377163
Molecular formulaC18H23N5O2S2
IUPAC name1-[1-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-5-oxo-3-propan-2-ylpyrazol-4-yl]-3-(4-methylsulfanylphenyl)urea
Molecular weight405.535
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50186944
1-(1-(4,5-dihydrothiazol-2-yl)-3-isopropyl-2-methyl-5-oxo-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(methylthio)phenyl)urea
Inchi KeyAILRBWXTHGHPIV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23N5O2S2/c1-11(2)15-14(16(24)23(22(15)3)18-19-9-10-27-18)21-17(25)20-12-5-7-13(26-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,20,21,25)
PubChem CID44413526
ChEMBLCHEMBL377163
IUPHARN/A
BindingDB50186944
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
6325N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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