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Ligand

NameCHEMBL315752
Molecular formulaC24H25ClN2O4
IUPAC name4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(2-ethylbutyl)-5-phenylpyrazole-3-carboxylic acid
Molecular weight440.924
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50093992
4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(2-ethyl-butyl)-5-phenyl-2H-pyrazole-3-carboxylic acid
Inchi KeyCHPWBJRNTBIYBY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25ClN2O4/c1-3-15(4-2)13-27-23(24(28)29)18(22(26-27)16-8-6-5-7-9-16)10-17-11-20-21(12-19(17)25)31-14-30-20/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,28,29)
PubChem CID44320474
ChEMBLCHEMBL315752
IUPHARN/A
BindingDB50093992
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42202Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
42201Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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