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Ligand

NameFR-166124
Molecular formulaC25H22N4O3
IUPAC name2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]acetic acid
Molecular weight426.476
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsAHLONZJYCGNSFG-UHFFFAOYSA-N
{2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-6H-pyridazin-1-yl]-cyclohex-1-enyl}-acetic acid
CHEMBL59673
3-[2-(2-carboxymethyl-1-cyclohexenyl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine
L013227
[ Show all ]
Inchi KeyAHLONZJYCGNSFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,31,32)
PubChem CID9910335
ChEMBLCHEMBL59673
IUPHARN/A
BindingDB50079650
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5658Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
5657Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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