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Name | CHEMBL315752 |
---|---|
Molecular formula | C24H25ClN2O4 |
IUPAC name | 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(2-ethylbutyl)-5-phenylpyrazole-3-carboxylic acid |
Molecular weight | 440.924 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 6.1 |
Synonyms | 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(2-ethyl-butyl)-5-phenyl-2H-pyrazole-3-carboxylic acid BDBM50093992 |
Inchi Key | CHPWBJRNTBIYBY-UHFFFAOYSA-N |
Inchi ID | InChI=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 CID | 44320474 |
ChEMBL | CHEMBL315752 |
IUPHAR | N/A |
BindingDB | 50093992 |
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 |
---|---|---|---|---|---|
42202 | Endothelin receptor type B | P21451 | Ednrb | Rattus norvegicus (Rat) | 442 |
42201 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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