Bioactive Compound Details
| BioID | bio3481 |
|---|---|
| Name | IRPAGRATINIB |
| ChEMBL ID | CHEMBL5314522 |
| Molecular Formula | C28H32F2N6O5 |
| Molecular Weight | 570.6 |
| Molecular Weight (Monoisotopic) | 570.2402 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | IRPAGRATINIB |
| Smiles | C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2cc(-c3c(F)c(OC)cc(OC)c3F)nc(N3CC(C)(OC)C3)c2n1 |
| Inchi | InChI=1S/C28H32F2N6O5/c1-6-21(37)32-16-7-8-41-12-18(16)34-27-31-11-15-9-17(22-23(29)19(38-3)10-20(39-4)24(22)30)33-26(25(15)35-27)36-13-28(2,14-36)40-5/h6,9-11,16,18H,1,7-8,12-14H2,2-5H3,(H,32,37)(H,31,34,35)/t16-,18+/m0/s1 |
| Inchi Key | PGRHEHZIRYNZDV-FUHWJXTLSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.01 |
| Records Key | ['IRPAGRATINIB'] |
| Records Name | ['IRPAGRATINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
