| BioID | bio2135 |
|---|
| Name | ORBOFIBAN |
|---|
| ChEMBL ID | CHEMBL64706 |
|---|
| Molecular Formula | C17H23N5O4 |
|---|
| Molecular Weight | 361.4 |
|---|
| Molecular Weight (Monoisotopic) | 361.175 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ORBOFIBAN|SC-57099B |
|---|
| Smiles | CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O |
|---|
| Inchi | InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1 |
|---|
| Inchi Key | VJDOPFARMOLELX-ZDUSSCGKSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 14.0 |
|---|
| Np Likeness Score | -1.22 |
|---|
| Records Key | ['SC-57099B (Orbofiban)', 'orbofiban'] |
|---|
| Records Name | ['3-{3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrrolidin-3-yl]-ureido}-propionic acid ethyl ester (SC-57099B (Orbofiban))', '3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrrolidin-3-yl]-ureido}-propionic acid ethyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
