| BioID | bio2038 |
|---|
| Name | DRAFLAZINE |
|---|
| ChEMBL ID | CHEMBL1628717 |
|---|
| Molecular Formula | C30H33Cl2F2N5O2 |
|---|
| Molecular Weight | 604.53 |
|---|
| Molecular Weight (Monoisotopic) | 603.1979 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DRAFLAZINA|DRAFLAZINE|R 75231|R-70380|R-75231|R70380|R75231 |
|---|
| Smiles | NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl |
|---|
| Inchi | InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40) |
|---|
| Inchi Key | IWMYIWLIESDFRZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -1.17 |
|---|
| Records Key | ['DRAFLAZINE', 'COVC-0678230812', '60849'] |
|---|
| Records Name | ['DRAFLAZINE', 'DRAFLAZINE', 'draflazine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
