| BioID | bio2137 |
|---|
| Name | OXAGRELATE |
|---|
| ChEMBL ID | CHEMBL153427 |
|---|
| Molecular Formula | C14H16N2O4 |
|---|
| Molecular Weight | 276.29 |
|---|
| Molecular Weight (Monoisotopic) | 276.111 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | NSC-305351|OXAGRELATE|OXAGRELATO|SC-32840 |
|---|
| Smiles | CCOC(=O)c1c(C)cc2c(CO)n[nH]c(=O)c2c1C |
|---|
| Inchi | InChI=1S/C14H16N2O4/c1-4-20-14(19)11-7(2)5-9-10(6-17)15-16-13(18)12(9)8(11)3/h5,17H,4,6H2,1-3H3,(H,16,18) |
|---|
| Inchi Key | DUQOOLBWGUKRAJ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 28.0 |
|---|
| Bioactivities | 32.0 |
|---|
| Np Likeness Score | -0.44 |
|---|
| Records Key | ['Phthalazinol, EG 626', 'SID99361015', 'OXAGRELATE', 'oxagrelate'] |
|---|
| Records Name | ['1-Hydroxymethyl-5,7-dimethyl-4-oxo-3,4-dihydro-phthalazine-6-carboxylic acid ethyl ester', 'SID99361015', 'OXAGRELATE', 'oxagrelate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
