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Ligand

NameCHEMBL315280
Molecular formulaC27H21ClN2O7
IUPAC name2-[[2-(carboxymethoxy)phenyl]methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
Molecular weight520.922
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.3
Synonyms2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-phenyl-2H-pyrazole-3-carboxylic acid
BDBM50093984
Inchi KeyAHXPDBYIMNNPOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H21ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-9,11-12H,10,13-15H2,(H,31,32)(H,33,34)
PubChem CID44320212
ChEMBLCHEMBL315280
IUPHARN/A
BindingDB50093984
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5963Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
5962Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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