Bioactive Compound Details
| BioID | bio3519 |
|---|---|
| Name | EFEGATRAN SULFATE |
| ChEMBL ID | CHEMBL324954 |
| Molecular Formula | C21H34N6O7S |
| Molecular Weight | 514.61 |
| Molecular Weight (Monoisotopic) | 416.2536 |
| Type | Protein |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | EFEGATRAN SULFATE|EFEGATRAN SULPHATE|LY-294468 |
| Smiles | CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N.O=S(=O)(O)O |
| Inchi | InChI=1S/C21H32N6O3.H2O4S/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23;1-5(2,3)4/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25);(H2,1,2,3,4)/t16-,17+,18-;/m0./s1 |
| Inchi Key | BISKEOIROPAOGY-RXQQAGQTSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.58 |
| Records Key | ['33 Efegatran LY-294468', 'EFEGATRAN SULFATE'] |
| Records Name | ['1-(2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide; compound with sulfuric acid', 'EFEGATRAN SULFATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
