Bioactive Compound Details
| BioID | bio1369 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL281140 |
| Molecular Formula | C37H52N8O10 |
| Molecular Weight | 768.87 |
| Molecular Weight (Monoisotopic) | 768.3806 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | deltorphin C |
| Smiles | CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C |
| Inchi | InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25-,26-,27-,30-,31-/m0/s1 |
| Inchi Key | CJAORFIPPWIGPG-PKNMDTBHSA-N |
| Molecular Species | ACID |
| Targets | 7.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 0.02 |
| Records Key | ['11', '7'] |
| Records Name | ['3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', '(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
