Bioactive Compound Details
| BioID | bio3456 |
|---|---|
| Name | EDICOTINIB HYDROCHLORIDE |
| ChEMBL ID | CHEMBL4297225 |
| Molecular Formula | C27H36ClN5O2 |
| Molecular Weight | 498.07 |
| Molecular Weight (Monoisotopic) | 461.2791 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | EDICOTINIB HYDROCHLORIDE|JNJ-40346527 HCI |
| Smiles | CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.Cl |
| Inchi | InChI=1S/C27H35N5O2.ClH/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18;/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33);1H |
| Inchi Key | GDFIUUZLRLJTSJ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.1 |
| Records Key | ['EDICOTINIB HYDROCHLORIDE'] |
| Records Name | ['EDICOTINIB HYDROCHLORIDE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
