Bioactive Compound Details
| BioID | bio937 |
|---|---|
| Name | LUCENTAMYCIN C |
| ChEMBL ID | CHEMBL400995 |
| Molecular Formula | C26H46N6O5 |
| Molecular Weight | 522.69 |
| Molecular Weight (Monoisotopic) | 522.353 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | lucentamycin C |
| Smiles | C/C=C1\CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)CC(C)C)[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H]1C |
| Inchi | InChI=1S/C26H46N6O5/c1-7-18-14-32(22(17(18)6)23(34)31-20(25(36)37)12-15(2)3)24(35)19(30-21(33)13-16(4)5)10-8-9-11-29-26(27)28/h7,15-17,19-20,22H,8-14H2,1-6H3,(H,30,33)(H,31,34)(H,36,37)(H4,27,28,29)/b18-7+/t17-,19+,20+,22+/m1/s1 |
| Inchi Key | CFMSJNQJYUHRGU-DULMUWHDSA-N |
| Molecular Species | ZWITTERION |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.78 |
| Records Key | ['3, lucentamycin C'] |
| Records Name | ['(S)-2-({(2S,3R)-4-eth-(Z)-ylidene-1-[(S)-6-guanidino-2-(3-methyl-butyrylamino)-hexanoyl]-3-methyl-pyrrolidine-2-carbonyl}-amino)-4-methyl-pentanoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
