Bioactive Compound Details
| BioID | bio788 |
|---|---|
| Name | ARCHAZOLID C |
| ChEMBL ID | CHEMBL1784266 |
| Molecular Formula | C48H72N2O12S |
| Molecular Weight | 901.17 |
| Molecular Weight (Monoisotopic) | 900.4806 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Archazolid C |
| Smiles | CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 |
| Inchi | InChI=1S/C48H72N2O12S/c1-26(2)20-38(61-48(57)49-11)45-50-35(25-63-45)44-31(7)15-13-14-30(6)43(58-12)34(10)36(52)19-17-27(3)21-29(5)22-33(9)37(23-28(4)16-18-32(8)46(56)62-44)59-47-42(55)41(54)40(53)39(24-51)60-47/h13-15,17-19,21-23,25-26,31,33-34,36-44,47,51-55H,16,20,24H2,1-12H3,(H,49,57)/b15-13+,19-17+,27-21-,28-23+,29-22-,30-14+,32-18+/t31-,33-,34-,36+,37+,38-,39+,40+,41-,42+,43+,44-,47+/m0/s1 |
| Inchi Key | DCUUIFQQELZBFD-OUEDXNQNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.8 |
| Records Key | ['3', '3'] |
| Records Name | ['Archazolid C', 'Archazolid C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
