Molecule Details
| InChIKey | YYTFTZONXCQXLW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[2-Methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-11-propan-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one |
| Canonical SMILES | COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)c1ccccc1C(=O)N2C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15075 | DCLK1 | Homo sapiens | Human | PF03607 PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q13164 | MAPK7 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.5 | IC50 | ChEMBL;BindingDB |