| BioID | bio3298 |
|---|
| Name | RAMATROBAN |
|---|
| ChEMBL ID | CHEMBL361812 |
|---|
| Molecular Formula | C21H21FN2O4S |
|---|
| Molecular Weight | 416.47 |
|---|
| Molecular Weight (Monoisotopic) | 416.1206 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BAY U 3405|BAY-U-3405|BAYNAS|EN 137774|EN-137774|RAMATROBAN |
|---|
| Smiles | O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 |
|---|
| Inchi | InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1 |
|---|
| Inchi Key | LDXDSHIEDAPSSA-OAHLLOKOSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 116.0 |
|---|
| Bioactivities | 250.0 |
|---|
| Np Likeness Score | -1.31 |
|---|
| Records Key | ['BAY-U-3405', '1', 'Ramatroban', '3', '3, ramatroban', '1', '2991', 'Ramatroban', 'SID50112772', '1', 'SID174006902', '24', 'SID170465980', 'RAMATROBAN', 'RAMATROBAN', 'Ramatroban', 'SID144206069', 'RAMATROBAN', 'ramatroban', '1', 'Ramatroban', 'Ramatroban', 'RAMATROBAN', 'RAMATROBAN', 'Ramatroban', 'Ramatroban', 'EUB0000843a', 'EUB0000843a', 'EUB0000843a', 'EUB0000843a', 'ramatroban', 'EUB0000843a'] |
|---|
| Records Name | ['3-[(S)-3-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid', '3-[(R)-3-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid', '3-[(S)-3-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid', 'Ramatroban', '(R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid', '3-[(R)-3-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid', None, 'Ramatroban', 'SID50112772', 'Ramatroban', 'SID174006902', 'Ramatroban', 'SID170465980', 'RAMATROBAN', 'RAMATROBAN', 'Ramatroban', 'SID144206069', 'RAMATROBAN', 'ramatroban', 'ramatroban', 'Ramatroban', 'Ramatroban', 'RAMATROBAN', 'RAMATROBAN', 'Ramatroban', 'Ramatroban', 'RAMATROBAN', 'RAMATROBAN', 'RAMATROBAN', 'RAMATROBAN', 'ramatroban', 'RAMATROBAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
