Bioactive Compound Details
| BioID | bio266 |
|---|---|
| Name | PATELLAMIDE C |
| ChEMBL ID | CHEMBL501924 |
| Molecular Formula | C37H46N8O6S2 |
| Molecular Weight | 762.96 |
| Molecular Weight (Monoisotopic) | 762.2982 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Patellamide C |
| Smiles | CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C1O[C@@H]2C |
| Inchi | InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19+,20+,21+,23+,26-,27-,28-,29-/m0/s1 |
| Inchi Key | CFXBLGFMQUFLKS-FUEDQDKVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.15 |
| Records Key | ['Patellamide C', '8', '3'] |
| Records Name | ['Patellamide C', 'Patellamide C', 'patellamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
