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Ligand

NameCHEMBL379762
Molecular formulaC24H25N5O2S
IUPAC name1-(1-methyl-3-oxo-5-propan-2-yl-2-quinolin-3-ylpyrazol-4-yl)-3-(4-methylsulfanylphenyl)urea
Molecular weight447.557
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
Synonyms1-(3-isopropyl-2-methyl-5-oxo-1-(quinolin-3-yl)-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(methylthio)phenyl)urea
BDBM50186961
Inchi KeyAMJWADKSEJNOBY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N5O2S/c1-15(2)22-21(27-24(31)26-17-9-11-19(32-4)12-10-17)23(30)29(28(22)3)18-13-16-7-5-6-8-20(16)25-14-18/h5-15H,1-4H3,(H2,26,27,31)
PubChem CID44413525
ChEMBLCHEMBL379762
IUPHARN/A
BindingDB50186961
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
8964N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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