Molecule Details
| InChIKey | XNHZXMPLVSJQFK-UHFFFAOYSA-O |
|---|---|
| Compound Name | TAK-779 cation |
| Canonical SMILES | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32248 | CCR7 | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| P51681 | CCR5 | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| P41597 | CCR2 | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL;BindingDB |
| P35961 | env | Human immunodeficiency virus type 1 group M subtype B (isolate YU-2) | Pathogen | PF00516 PF00517 | 7.0 | IC50 | BindingDB |