Bioactive Compound Details
| BioID | bio1188 |
|---|---|
| Name | LOLOATIN C |
| ChEMBL ID | CHEMBL502601 |
| Molecular Formula | C69H86N14O14 |
| Molecular Weight | 1335.53 |
| Molecular Weight (Monoisotopic) | 1334.6448 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Loloatin C |
| Smiles | CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |
| Inchi | InChI=1S/C69H86N14O14/c1-37(2)28-49-61(89)81-55(30-40-22-24-43(84)25-23-40)69(97)83-27-13-21-56(83)67(95)80-51(31-41-35-72-46-18-10-8-16-44(41)46)63(91)76-50(29-39-14-6-5-7-15-39)62(90)78-53(33-57(71)85)64(92)79-54(34-58(86)87)65(93)77-52(32-42-36-73-47-19-11-9-17-45(42)47)66(94)82-59(38(3)4)68(96)74-48(20-12-26-70)60(88)75-49/h5-11,14-19,22-25,35-38,48-56,59,72-73,84H,12-13,20-21,26-34,70H2,1-4H3,(H2,71,85)(H,74,96)(H,75,88)(H,76,91)(H,77,93)(H,78,90)(H,79,92)(H,80,95)(H,81,89)(H,82,94)(H,86,87)/t48-,49-,50+,51-,52-,53-,54-,55+,56-,59-/m0/s1 |
| Inchi Key | CYMXDVUOZGHVJG-OMPQOHMDSA-N |
| Molecular Species | None |
| Targets | 12.0 |
| Bioactivities | 20.0 |
| Np Likeness Score | None |
| Records Key | ['3', '3, Loloatin C'] |
| Records Name | ['loloatin C', 'cyclic (L-asparaginyl-L-aspartyl-L-tryptophanyl-L-valyl-L-ornithyl-L-leucyl-D-tyrosyl-L-prolyl-L-tryptophanyl-D-phenylalanyl)'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
