Bioactive Compound Details
| BioID | bio599 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2207537 |
| Molecular Formula | C23H20N4O3S2 |
| Molecular Weight | 464.57 |
| Molecular Weight (Monoisotopic) | 464.0977 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Gliocladine-C |
| Smiles | CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@]1(c1c[nH]c2ccccc12)[C@@H]3O |
| Inchi | InChI=1S/C23H20N4O3S2/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22-,23-/m0/s1 |
| Inchi Key | MRBZKCMQZBKXMZ-MHYJACLRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.95 |
| Records Key | ['4'] |
| Records Name | ['Gliocladine-C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
