Bioactive Compound Details
| BioID | bio658 |
|---|---|
| Name | MIRABAMIDE C |
| ChEMBL ID | CHEMBL439403 |
| Molecular Formula | C66H104ClN13O21 |
| Molecular Weight | 1451.08 |
| Molecular Weight (Monoisotopic) | 1449.7158 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Mirabamide C |
| Smiles | CCC(C)/C=C(C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O)cc2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@@H](C)N)[C@@H](C)O |
| Inchi | InChI=1S/C66H104ClN13O21/c1-16-31(4)25-32(5)17-22-44(84)66(12,98)65(97)71-28-46(86)74-49(37(10)81)59(91)76-48(35(8)68)58(90)75-47(33(6)34(7)55(69)87)57(89)77-50-53(30(2)3)101-64(96)43-26-40(67)23-24-80(43)63(95)51(54(100-15)39-18-20-41(83)21-19-39)78-61(93)52(38(11)82)79(13)62(94)36(9)72-45(85)27-70-56(88)42(29-99-14)73-60(50)92/h17-22,25,30-31,33-38,40,42-44,47-54,81-84,98H,16,23-24,26-29,68H2,1-15H3,(H2,69,87)(H,70,88)(H,71,97)(H,72,85)(H,73,92)(H,74,86)(H,75,90)(H,76,91)(H,77,89)(H,78,93)/b22-17-,32-25+/t31?,33-,34+,35+,36-,37+,38+,40-,42+,43-,44?,47-,48-,49-,50+,51+,52-,53+,54+,66?/m0/s1 |
| Inchi Key | VEJZPSFCBFZXDK-CAWGUXONSA-N |
| Molecular Species | None |
| Targets | 9.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | None |
| Records Key | ['3', '5'] |
| Records Name | ['mirabamide C', 'mirabamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
