| BioID | bio3418 |
|---|
| Name | EDRALBRUTINIB |
|---|
| ChEMBL ID | CHEMBL4650338 |
|---|
| Molecular Formula | C26H21F2N5O3 |
|---|
| Molecular Weight | 489.48 |
|---|
| Molecular Weight (Monoisotopic) | 489.1612 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | EDRALBRUTINIB|SHR-1459|SHR1459|TG 1701|TG-1701|TG1701 |
|---|
| Smiles | CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1 |
|---|
| Inchi | InChI=1S/C26H21F2N5O3/c1-2-4-21(34)32-12-11-16(13-32)33-14-18(22-23(33)26(35)31-30-25(22)29)15-7-9-17(10-8-15)36-24-19(27)5-3-6-20(24)28/h3,5-10,14,16H,11-13H2,1H3,(H2,29,30)(H,31,35)/t16-/m1/s1 |
|---|
| Inchi Key | DNPOFZXZJJDQLB-MRXNPFEDSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.71 |
|---|
| Records Key | ['EDRALBRUTINIB', 'EDRALBRUTINIB'] |
|---|
| Records Name | ['EDRALBRUTINIB', 'EDRALBRUTINIB'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
