| BioID | bio2710 |
|---|
| Name | MOBOCERTINIB |
|---|
| ChEMBL ID | CHEMBL4650319 |
|---|
| Molecular Formula | C32H39N7O4 |
|---|
| Molecular Weight | 585.71 |
|---|
| Molecular Weight (Monoisotopic) | 585.3064 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AP-32788|AP32788|MOBOCERTINIB|TAK-788 |
|---|
| Smiles | C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C |
|---|
| Inchi | InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36) |
|---|
| Inchi Key | AZSRSNUQCUDCGG-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 15.0 |
|---|
| Bioactivities | 66.0 |
|---|
| Np Likeness Score | -1.05 |
|---|
| Records Key | ['MOBOCERTINIB', 'MOBOCERTINIB', 'Mobocertinib', 'MOBOCERTINIB', '21c; TAK-788', '2', 'TAK-788'] |
|---|
| Records Name | ['MOBOCERTINIB', 'MOBOCERTINIB', 'Mobocertinib', 'MOBOCERTINIB', 'Mobocertinib; isopropyl 2-((5-acrylamido-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)amino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate', 'Mobocertinib', 'Mobocertinib'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
