Bioactive Compound Details
| BioID | bio1186 |
|---|---|
| Name | SEGETALIN C |
| ChEMBL ID | CHEMBL378323 |
| Molecular Formula | C40H51N9O7 |
| Molecular Weight | 769.9 |
| Molecular Weight (Monoisotopic) | 769.3911 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Segetalin C |
| Smiles | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O |
| Inchi | InChI=1S/C40H51N9O7/c1-24(2)17-29-37(53)47-31(20-28-21-41-23-43-28)38(54)46-30(18-26-11-6-4-7-12-26)36(52)44-25(3)35(51)48-32(19-27-13-8-5-9-14-27)40(56)49-16-10-15-33(49)39(55)42-22-34(50)45-29/h4-9,11-14,21,23-25,29-33H,10,15-20,22H2,1-3H3,(H,41,43)(H,42,55)(H,44,52)(H,45,50)(H,46,54)(H,47,53)(H,48,51)/t25-,29-,30-,31-,32-,33-/m0/s1 |
| Inchi Key | XROZPEWVOVZNTE-YXKTVTGNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.82 |
| Records Key | ['3, Segetalin C'] |
| Records Name | ['(5S,8S,11S,14S,17S,22aS)-5,11-dibenzyl-14-(1H-imidazol-4-ylmethyl)-17-isobutyl-8-methyl-hexadecahydro-3a,6,9,12,15,18,21-heptaaza-cyclopentacyclohenicosene-4,7,10,13,16,19,22-heptaone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
