| BioID | bio3253 |
|---|
| Name | ELECLAZINE |
|---|
| ChEMBL ID | CHEMBL3707392 |
|---|
| Molecular Formula | C21H16F3N3O3 |
|---|
| Molecular Weight | 415.37 |
|---|
| Molecular Weight (Monoisotopic) | 415.1144 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ELECLAZINA|ELECLAZINE|GS-6615 |
|---|
| Smiles | O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1 |
|---|
| Inchi | InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2 |
|---|
| Inchi Key | YNUAEEJQYHYLMS-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 21.0 |
|---|
| Bioactivities | 110.0 |
|---|
| Np Likeness Score | -1.07 |
|---|
| Records Key | ['ELECLAZINE', 'II-73', 'ELECLAZINE', '4; GS-6615'] |
|---|
| Records Name | ['ELECLAZINE', '4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethoxy)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one', 'ELECLAZINE', '4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethoxy)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
