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Name | CHEMBL1084030 |
---|---|
Molecular formula | C23H21FN4O5 |
IUPAC name | 5-(3-fluorophenyl)-2-[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid |
Molecular weight | 452.442 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | BDBM50319110 SCHEMBL13920667 5-(3-fluorophenyl)-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid |
Inchi Key | BPWZRSNPRSKPQW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H21FN4O5/c24-15-3-1-2-13(10-15)14-4-6-18(17(11-14)23(31)32)26-20(30)8-9-21-27-22(28-33-21)19-7-5-16(29)12-25-19/h1-3,5,7,10,12,14,29H,4,6,8-9,11H2,(H,26,30)(H,31,32) |
PubChem CID | 135966934 |
ChEMBL | CHEMBL1084030 |
IUPHAR | N/A |
BindingDB | 50319110 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
558189 | Hydroxycarboxylic acid receptor 2 | Q8TDS4 | HCAR2 | Homo sapiens (Human) | 363 |
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