Bioactive Compound Details
| BioID | bio183815 |
|---|---|
| Name | ROTIGAPTIDE |
| ChEMBL ID | CHEMBL450656 |
| Molecular Formula | C28H39N7O9 |
| Molecular Weight | 617.66 |
| Molecular Weight (Monoisotopic) | 617.2809 |
| Type | Protein |
| Max Phase | Phase 2 |
| Target ID | Tar95 |
| Target Name | None |
| Synonyms | GAP (WYETH)|ROTIGAPTIDA|ROTIGAPTIDE|ZP-123|ZP-123 (ZEALAND) |
| Smiles | CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@H](C)C(=O)NCC(N)=O |
| Inchi | InChI=1S/C28H39N7O9/c1-15(25(41)30-12-23(29)39)32-24(40)13-31-26(42)22-11-19(38)14-35(22)28(44)21-4-3-9-34(21)27(43)20(33-16(2)36)10-17-5-7-18(37)8-6-17/h5-8,15,19-22,37-38H,3-4,9-14H2,1-2H3,(H2,29,39)(H,30,41)(H,31,42)(H,32,40)(H,33,36)/t15-,19+,20-,21-,22-/m1/s1 |
| Inchi Key | GFJRASPBQLDRRY-TWTQBQJDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | -0.47 |
| Records Key | ['ROTIGAPTIDE', '3', 'ROTIGAPTIDE'] |
| Records Name | ['ROTIGAPTIDE', 'Rotigaptide', 'ROTIGAPTIDE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
