Bioactive Compound Details
| BioID | bio502 |
|---|---|
| Name | DIDEMNIN C |
| ChEMBL ID | CHEMBL505317 |
| Molecular Formula | C52H82N6O14 |
| Molecular Weight | 1015.26 |
| Molecular Weight (Monoisotopic) | 1014.5889 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Didemnin C |
| Smiles | CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O |
| Inchi | InChI=1S/C52H82N6O14/c1-15-30(8)42-40(60)26-41(61)72-45(29(6)7)44(62)31(9)46(63)53-36(23-27(2)3)50(67)58-22-16-17-37(58)51(68)57(13)39(25-34-18-20-35(70-14)21-19-34)52(69)71-33(11)43(48(65)54-42)55-47(64)38(24-28(4)5)56(12)49(66)32(10)59/h18-21,27-33,36-40,42-43,45,59-60H,15-17,22-26H2,1-14H3,(H,53,63)(H,54,65)(H,55,64)/t30-,31-,32-,33+,36-,37-,38+,39-,40-,42+,43-,45-/m0/s1 |
| Inchi Key | ZRSXZCRRAOVIJD-KNKJEZLASA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['3a', '27'] |
| Records Name | ['Didemnin C', 'didemnin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
