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Ligand

NameCHEMBL2430981
Molecular formulaC21H23FN6O3
IUPAC name2-[[(2S)-3-(4-fluorophenyl)-1-[[2-methyl-5-[2-(methylamino)pyridin-4-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]amino]acetic acid
Molecular weight426.452
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.3
SynonymsBDBM50440704
SCHEMBL2686575
Inchi KeyMPMAEUSZVYUQGL-KRWDZBQOSA-N
Inchi IDInChI=1S/C21H23FN6O3/c1-23-18-10-14(7-8-24-18)16-11-19(28(2)27-16)26-21(31)17(25-12-20(29)30)9-13-3-5-15(22)6-4-13/h3-8,10-11,17,25H,9,12H2,1-2H3,(H,23,24)(H,26,31)(H,29,30)/t17-/m0/s1
PubChem CID67497835
ChEMBLCHEMBL2430981
IUPHARN/A
BindingDB50440704
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
211238Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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