Bioactive Compound Details
| BioID | bio20 |
|---|---|
| Name | SUNIRINE |
| ChEMBL ID | CHEMBL5095414 |
| Molecular Formula | C60H63N9O15S |
| Molecular Weight | 1182.28 |
| Molecular Weight (Monoisotopic) | 1181.4164 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | DGN549-C|SUNIRINE |
| Smiles | COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3c5ccccc5C[C@H]3[C@H](S(=O)(=O)O)N4)cc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCC(=O)NCCN3C(=O)C=CC3=O)c1)NC[C@@H]1Cc3ccccc3N1C2=O |
| Inchi | InChI=1S/C60H63N9O15S/c1-33(63-53(71)16-10-9-15-52(70)61-19-20-67-54(72)17-18-55(67)73)56(74)64-34(2)57(75)65-39-22-35(31-83-50-28-43-41(26-48(50)81-3)59(76)68-40(30-62-43)24-37-11-5-7-13-45(37)68)21-36(23-39)32-84-51-29-44-42(27-49(51)82-4)60(77)69-46-14-8-6-12-38(46)25-47(69)58(66-44)85(78,79)80/h5-8,11-14,17-18,21-23,26-29,33-34,40,47,58,62,66H,9-10,15-16,19-20,24-25,30-32H2,1-4H3,(H,61,70)(H,63,71)(H,64,74)(H,65,75)(H,78,79,80)/t33-,34-,40-,47-,58-/m0/s1 |
| Inchi Key | ULMLCLUWGHVNGG-ZVGXFVMESA-N |
| Molecular Species | None |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | None |
| Records Key | ['SUNIRINE'] |
| Records Name | ['SUNIRINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
