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Ligand

NameCHEMBL2430979
Molecular formulaC22H24FN9O
IUPAC name(2S)-3-(4-fluorophenyl)-N-[2-methyl-5-[2-(methylamino)pyridin-4-yl]pyrazol-3-yl]-2-(2H-triazol-4-ylmethylamino)propanamide
Molecular weight449.494
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.5
SynonymsSCHEMBL2686730
BDBM50440696
Inchi KeyJMPSEFXATHMJIG-IBGZPJMESA-N
Inchi IDInChI=1S/C22H24FN9O/c1-24-20-10-15(7-8-25-20)18-11-21(32(2)30-18)28-22(33)19(26-12-17-13-27-31-29-17)9-14-3-5-16(23)6-4-14/h3-8,10-11,13,19,26H,9,12H2,1-2H3,(H,24,25)(H,28,33)(H,27,29,31)/t19-/m0/s1
PubChem CID67497915
ChEMBLCHEMBL2430979
IUPHARN/A
BindingDB50440696
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
154631Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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