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Name | CHEMBL26474 |
---|---|
Molecular formula | C26H21ClN2O5 |
IUPAC name | 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]-5-phenylpyrazole-3-carboxylic acid |
Molecular weight | 476.913 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.7 |
Synonyms | 1-(3-Methoxybenzyl)-3-phenyl-4-(6-chloro-1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-carboxylic acid BDBM50089716 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-methoxy-benzyl)-5-phenyl-2H-pyrazole-3-carboxylic acid |
Inchi Key | FGOULBWWTIMGSP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31) |
PubChem CID | 10050696 |
ChEMBL | CHEMBL26474 |
IUPHAR | N/A |
BindingDB | 50089716 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
77958 | Endothelin receptor type B | P21451 | Ednrb | Rattus norvegicus (Rat) | 442 |
77959 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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