Molecule Details
| InChIKey | HINOQCZIDBNXEI-FQEVSTJZSA-N |
|---|---|
| Compound Name | Aak1-IN-4 |
| Canonical SMILES | COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL;BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 7.0 | IC50 | ChEMBL |
| Q9BUB5 | MKNK1 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.7 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL |