Bioactive Compound Details
| BioID | bio1232 |
|---|---|
| Name | GRASSYPEPTOLIDE C |
| ChEMBL ID | CHEMBL1823870 |
| Molecular Formula | C56H79N9O10S2 |
| Molecular Weight | 1102.43 |
| Molecular Weight (Monoisotopic) | 1101.5391 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Grassypeptolide C |
| Smiles | CC[C@H]1NC(=O)[C@@H]2CSC(=N2)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2 |
| Inchi | InChI=1S/C56H79N9O10S2/c1-12-38-50-60-40(30-76-50)52(70)62(9)42(26-31(2)3)48(68)61-45(35(8)66)49(69)57-34(7)33(6)56(74)75-44(28-37-22-17-14-18-23-37)54(72)64(11)46(32(4)5)55(73)65-25-19-24-41(65)53(71)63(10)43(27-36-20-15-13-16-21-36)51-59-39(29-77-51)47(67)58-38/h13-18,20-23,31-35,38-46,66H,12,19,24-30H2,1-11H3,(H,57,69)(H,58,67)(H,61,68)/t33-,34-,35-,38-,39+,40+,41+,42-,43+,44+,45-,46+/m1/s1 |
| Inchi Key | KUUZFDUZAFJFSJ-WLXMMAAGSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['Grassypeptolide C'] |
| Records Name | ['Grassypeptolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
