| BioID | bio2921 |
|---|
| Name | MAVATREP |
|---|
| ChEMBL ID | CHEMBL2364618 |
|---|
| Molecular Formula | C25H21F3N2O |
|---|
| Molecular Weight | 422.45 |
|---|
| Molecular Weight (Monoisotopic) | 422.1606 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | JNJ-39439335|MAVATREP|Mavatrep |
|---|
| Smiles | CC(C)(O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1 |
|---|
| Inchi | InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+ |
|---|
| Inchi Key | ORDHXXHTBUZRCN-NTEUORMPSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 19.0 |
|---|
| Bioactivities | 63.0 |
|---|
| Np Likeness Score | -0.57 |
|---|
| Records Key | ['MAVATREP', 'MAVATREP', '4, Mavatrep', 'JNJ-39439335'] |
|---|
| Records Name | ['MAVATREP', 'MAVATREP', '(trans)-2-(2-{2-[2-(4-Trifluoromethyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-propan-2-ol', '2-(2-(2-(4-(trifluoromethyl)styryl)-1H-benzo[d]imidazol-6-yl)phenyl)propan-2-ol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
