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Name | CHEMBL281865 |
---|---|
Molecular formula | C26H22N2O5 |
IUPAC name | 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenylpyrazole-3-carboxylic acid |
Molecular weight | 442.471 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | 4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)-5-phenyl-2H-pyrazole-3-carboxylic acid BDBM50089721 |
Inchi Key | FNTQOHODKUIKDA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H22N2O5/c1-31-20-9-5-6-18(12-20)15-28-25(26(29)30)21(24(27-28)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)33-16-32-22/h2-12,14H,13,15-16H2,1H3,(H,29,30) |
PubChem CID | 10252787 |
ChEMBL | CHEMBL281865 |
IUPHAR | N/A |
BindingDB | 50089721 |
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 |
---|---|---|---|---|---|
82923 | Endothelin receptor type B | P21451 | Ednrb | Rattus norvegicus (Rat) | 442 |
82922 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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