Bioactive Compound Details
| BioID | bio325 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2208228 |
| Molecular Formula | C71H118N18O22 |
| Molecular Weight | 1575.83 |
| Molecular Weight (Monoisotopic) | 1574.8668 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Rel-Neamphamide C |
| Smiles | CO[C@H](c1ccc(O)cc1)[C@H]1NC(=O)[C@H](CCC(=O)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](O)[C@H](O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[C@H](O)[C@H](C)CC(C)C)C(C)C(C)C(N)=O)[C@@H](C)OC(=O)[C@@H]2CCCCN2C1=O |
| Inchi | InChI=1S/C71H118N18O22/c1-32(2)29-34(5)54(95)37(8)59(99)82-44(31-48(72)92)61(101)80-42(17-15-26-78-70(74)75)55(96)56(97)66(106)84-50(35(6)36(7)58(73)98)63(103)86-52-39(10)111-69(109)47-19-13-14-28-89(47)68(108)53(57(110-12)40-20-22-41(91)23-21-40)87-62(102)46(24-25-49(93)94)88(11)67(107)45(30-33(3)4)83-60(100)43(18-16-27-79-71(76)77)81-64(104)51(38(9)90)85-65(52)105/h20-23,32-39,42-47,50-57,90-91,95-97H,13-19,24-31H2,1-12H3,(H2,72,92)(H2,73,98)(H,80,101)(H,81,104)(H,82,99)(H,83,100)(H,84,106)(H,85,105)(H,86,103)(H,87,102)(H,93,94)(H4,74,75,78)(H4,76,77,79)/t34-,35?,36?,37-,38+,39-,42+,43-,44+,45+,46+,47+,50?,51-,52-,53-,54-,55-,56-,57-/m1/s1 |
| Inchi Key | BAYIUKNWFJLOEO-SZKMIYDASA-N |
| Molecular Species | None |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | None |
| Records Key | ['3'] |
| Records Name | ['rel-Neamphamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
