Bioactive Compound Details
| BioID | bio114 |
|---|---|
| Name | JASPAMIDE C |
| ChEMBL ID | CHEMBL476329 |
| Molecular Formula | C36H45BrN4O7 |
| Molecular Weight | 725.68 |
| Molecular Weight (Monoisotopic) | 724.2472 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Jaspamide C |
| Smiles | C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)C1O |
| Inchi | InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22+,23+,29-,30-,32?/m1/s1 |
| Inchi Key | BJPMREHPIFRLGM-KALUOVLNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.81 |
| Records Key | ['2'] |
| Records Name | ['jaspamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
