Bioactive Compound Details
| BioID | bio841 |
|---|---|
| Name | BRUNSVICAMIDE C |
| ChEMBL ID | CHEMBL439324 |
| Molecular Formula | C45H65N9O10 |
| Molecular Weight | 892.07 |
| Molecular Weight (Monoisotopic) | 891.4854 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Brunsvicamide C |
| Smiles | CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)c2ccccc2NC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O)C(=O)O |
| Inchi | InChI=1S/C45H65N9O10/c1-8-27(6)37(43(61)62)53-45(64)51-31-20-14-15-21-47-38(56)32(23-28-16-10-9-11-17-28)48-40(58)34(24-35(55)29-18-12-13-19-30(29)50-44(46)63)54(7)42(60)33(22-25(2)3)49-41(59)36(26(4)5)52-39(31)57/h9-13,16-19,25-27,31-34,36-37H,8,14-15,20-24H2,1-7H3,(H,47,56)(H,48,58)(H,49,59)(H,52,57)(H,61,62)(H3,46,50,63)(H2,51,53,64)/t27-,31-,32-,33-,34+,36-,37-/m0/s1 |
| Inchi Key | CRHBMWWUIIIARO-DSJSUDNGSA-N |
| Molecular Species | ACID |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 0.33 |
| Records Key | ['3, Brunsvicamide C'] |
| Records Name | ['(2S,3S)-2-(3-{(3S,6R,9S,12S,15S)-3-benzyl-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-6-[2-oxo-2-(2-ureido-phenyl)-ethyl]-1,4,7,10,13pentaaza-cyclononadec-15-yl}-ureido)-3-methyl-pentanoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
