| BioID | bio2223 |
|---|
| Name | GANTOFIBAN |
|---|
| ChEMBL ID | CHEMBL78871 |
|---|
| Molecular Formula | C21H29N5O6 |
|---|
| Molecular Weight | 447.49 |
|---|
| Molecular Weight (Monoisotopic) | 447.2118 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GANTOFIBAN|Gantofiban |
|---|
| Smiles | CCOC(=O)CN1CCN(C[C@@H]2CN(c3ccc(C(=N)NC(=O)OC)cc3)C(=O)O2)CC1 |
|---|
| Inchi | InChI=1S/C21H29N5O6/c1-3-31-18(27)14-25-10-8-24(9-11-25)12-17-13-26(21(29)32-17)16-6-4-15(5-7-16)19(22)23-20(28)30-2/h4-7,17H,3,8-14H2,1-2H3,(H2,22,23,28)/t17-/m1/s1 |
|---|
| Inchi Key | YNBHAPKHWDNTMZ-QGZVFWFLSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.14 |
|---|
| Records Key | ['5o', 'EMD-122347 (gantofiban)', 'GANTOFIBAN'] |
|---|
| Records Name | ['(4-{(R)-3-[4-(Imino-methoxycarbonylamino-methyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-piperazin-1-yl)-acetic acid ethyl ester', '(4-{3-[4-(Imino-methoxycarbonylamino-methyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-piperazin-1-yl)-acetic acid ethyl ester (EMD-122347)', 'GANTOFIBAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
