Bioactive Compound Details
| BioID | bio1625 |
|---|---|
| Name | PSEUDOMYCIN C |
| ChEMBL ID | CHEMBL261974 |
| Molecular Formula | C53H91ClN12O19 |
| Molecular Weight | 1235.83 |
| Molecular Weight (Monoisotopic) | 1234.6212 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Pseudomycin C |
| Smiles | C/C=C1/NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCCCC)COC(=O)[C@H]([C@H](O)CCl)NC(=O)[C@H]([C@H](O)C(=O)O)NC1=O |
| Inchi | InChI=1S/C53H91ClN12O19/c1-4-6-7-8-9-10-11-12-13-14-15-18-30(68)25-38(70)58-36-28-85-53(84)41(37(69)27-54)65-51(81)42(43(73)52(82)83)66-44(74)31(5-2)59-50(80)40(29(3)67)64-47(77)34(21-24-57)61-45(75)32(19-16-17-22-55)60-48(78)35(26-39(71)72)63-46(76)33(20-23-56)62-49(36)79/h5,29-30,32-37,40-43,67-69,73H,4,6-28,55-57H2,1-3H3,(H,58,70)(H,59,80)(H,60,78)(H,61,75)(H,62,79)(H,63,76)(H,64,77)(H,65,81)(H,66,74)(H,71,72)(H,82,83)/b31-5+/t29-,30+,32-,33+,34+,35-,36-,37+,40-,41-,42-,43-/m0/s1 |
| Inchi Key | KZSKIDBMTSZKLE-NDWYDANWSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | None |
| Records Key | ['PSC(2)'] |
| Records Name | ['Pseudomycin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
