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Ligand

NameCHEMBL3819064
Molecular formulaC23H23FN4O6
IUPAC name(2S)-5-amino-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-oxopentanoic acid
Molecular weight470.457
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50183350
SCHEMBL17326231
Inchi KeyCIOTYVNIEFAUMC-HNNXBMFYSA-N
Inchi IDInChI=1S/C23H23FN4O6/c1-33-18-4-3-5-19(34-2)21(18)17-12-16(27-28(17)14-8-6-13(24)7-9-14)22(30)26-15(23(31)32)10-11-20(25)29/h3-9,12,15H,10-11H2,1-2H3,(H2,25,29)(H,26,30)(H,31,32)/t15-/m0/s1
PubChem CID118568545
ChEMBLCHEMBL3819064
IUPHARN/A
BindingDB50183350
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
522794Apelin receptorP35414APLNRHomo sapiens (Human)380

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