Bioactive Compound Details
| BioID | bio1367 |
|---|---|
| Name | TERMINAMINE C |
| ChEMBL ID | CHEMBL2087201 |
| Molecular Formula | C36H60N2O7 |
| Molecular Weight | 632.88 |
| Molecular Weight (Monoisotopic) | 632.4401 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Terminamine C |
| Smiles | CC(=O)O[C@@H]1C[C@H](N2C[C@H](C(C)C)C2=O)[C@H](O)[C@@H]2CC[C@@H]3[C@H]([C@H](OC(=O)CC(C)C)C[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@@H]34)[C@@]12C |
| Inchi | InChI=1S/C36H60N2O7/c1-18(2)13-30(41)45-28-16-35(7)25(14-27(40)31(35)20(5)37(9)10)22-11-12-24-33(42)26(38-17-23(19(3)4)34(38)43)15-29(44-21(6)39)36(24,8)32(22)28/h18-20,22-29,31-33,40,42H,11-17H2,1-10H3/t20-,22-,23+,24-,25-,26-,27-,28+,29+,31-,32+,33+,35-,36+/m0/s1 |
| Inchi Key | SUPKERYLYKAVRS-KIYBVETFSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.5 |
| Records Key | ['3, Terminamine C'] |
| Records Name | [20alpha-dimethylamino-3beta-(3'alpha-isopropyl)-lactam-1beta-acetoxy-11alpha-isovaleryl-5alpha-pregn-4beta,16beta-diol"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
