| BioID | bio2938 |
|---|
| Name | MAROPITANT |
|---|
| ChEMBL ID | CHEMBL2111099 |
|---|
| Molecular Formula | C32H40N2O |
|---|
| Molecular Weight | 468.69 |
|---|
| Molecular Weight (Monoisotopic) | 468.3141 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | MAROPITANT|Prevomax |
|---|
| Smiles | COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C32H40N2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31-/m0/s1 |
|---|
| Inchi Key | OMPCVMLFFSQFIX-CONSDPRKSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.01 |
|---|
| Records Key | ['MAROPITANT', 'maropitant', 'Maropitant', 'Maropitant', 'Maropitant', 'MAROPITANT'] |
|---|
| Records Name | ['MAROPITANT', 'maropitant', 'Maropitant', 'Maropitant', 'Maropitant', 'MAROPITANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
