| BioID | bio85455 |
|---|
| Name | SAFOTIBANT |
|---|
| ChEMBL ID | CHEMBL1254771 |
|---|
| Molecular Formula | C25H34N4O5S |
|---|
| Molecular Weight | 502.64 |
|---|
| Molecular Weight (Monoisotopic) | 502.225 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar46 |
|---|
| Target Name | None |
|---|
| Synonyms | FOV-2304|FOV2304|FOV2304 FREE BASE|LF 22-0542|LF-22-0542|LF22-0542|SAFOTIBANT PHOSPHATE|Safotibant |
|---|
| Smiles | COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1 |
|---|
| Inchi | InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27) |
|---|
| Inchi Key | AMTQCENHQIDBHQ-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 23.0 |
|---|
| Np Likeness Score | -1.36 |
|---|
| Records Key | ['24', '5724', '21a', 'SAFOTIBANT'] |
|---|
| Records Name | ['N-(4-(4,5-dihydro-1H-imidazol-2-yl)benzyl)-2-(2-(4-methoxy-N,2,6-trimethylphenylsulfonamido)ethoxy)-N-methylacetamide', None, 'N-[[4-(4,5-Dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl]methylamino]-ethoxy]-N-methylacetamide', 'SAFOTIBANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
