Bioactive Compound Details
| BioID | bio398 |
|---|---|
| Name | PALTOLIDE C |
| ChEMBL ID | CHEMBL1077091 |
| Molecular Formula | C40H62BrN11O8 |
| Molecular Weight | 904.91 |
| Molecular Weight (Monoisotopic) | 903.3966 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Paltolide C |
| Smiles | CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC(=O)[C@H](CC(C)C)N(C)C1=O |
| Inchi | InChI=1S/C40H62BrN11O8/c1-21(2)16-31-37(57)52(6)32(17-22(3)4)36(56)48-30(18-24-20-46-29-19-25(41)12-13-26(24)29)34(54)44-14-8-7-10-27(35(55)47-23(5)33(53)49-31)50-40(60)51-28(38(58)59)11-9-15-45-39(42)43/h12-13,19-23,27-28,30-32,46H,7-11,14-18H2,1-6H3,(H,44,54)(H,47,55)(H,48,56)(H,49,53)(H,58,59)(H4,42,43,45)(H2,50,51,60)/t23-,27+,28-,30-,31-,32-/m0/s1 |
| Inchi Key | VSWORHNYRRXESF-KUEVFPKLSA-N |
| Molecular Species | ZWITTERION |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.66 |
| Records Key | ['3'] |
| Records Name | ['paltolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
