Molecule Details
| InChIKey | IDMGTGWKKYHBFA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-[4-[[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]triazol-4-yl]methoxymethyl]-2-pyridinyl]urea |
| Canonical SMILES | O=C(Nc1cc(COCc2cn(CCNc3c4c(nc5ccccc35)CCCC4)nn2)ccn1)Nc1cccc2c1C1CCCCN1C2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 7.7 | IC50 | ChEMBL;BindingDB |
| P06276 | BCHE | Homo sapiens | Human | PF08674 PF00135 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.5 | IC50 | ChEMBL;BindingDB |