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Ligand

NameMLS000733195
Molecular formulaC22H26F2N4
IUPAC nameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
Molecular weight384.475
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsMCULE-6017223043
N'-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-N,N-dimethylpropane-1,3-diamine
CHEMBL1312639
N-[[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-N',N'-dimethyl-propane-1,3-diamine
HMS2710A09
[ Show all ]
Inchi KeyAFVLYIBFUZRPBV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26F2N4/c1-16-7-4-5-8-19(16)22-17(14-25-11-6-12-27(2)3)15-28(26-22)21-10-9-18(23)13-20(21)24/h4-5,7-10,13,15,25H,6,11-12,14H2,1-3H3
PubChem CID16187217
ChEMBLCHEMBL1312639
IUPHARN/A
BindingDBN/A
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
4535Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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