Molecule Details
| InChIKey | RPLZXBUKXSYWDQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(2,5-Dichlorophenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene |
| Canonical SMILES | COc1ccc2nnc3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00408 | PDE2A | Homo sapiens | Human | PF01590 PF00233 | 8.7 | IC50 | ChEMBL |
| Q9Y233 | PDE10A | Homo sapiens | Human | PF01590 PF00233 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q13370 | PDE3B | Homo sapiens | Human | PF00233 | 6.1 | IC50 | ChEMBL |
| Q14432 | PDE3A | Homo sapiens | Human | PF00233 | 6.1 | IC50 | ChEMBL |
| O43924 | PDE6D | Homo sapiens | Human | PF05351 | 6.1 | IC50 | ChEMBL |
| P16499 | PDE6A | Homo sapiens | Human | PF01590 PF00233 | 6.1 | IC50 | ChEMBL |
| P18545 | PDE6G | Homo sapiens | Human | PF04868 | 6.1 | IC50 | ChEMBL |
| P35913 | PDE6B | Homo sapiens | Human | PF01590 PF00233 | 6.1 | IC50 | ChEMBL |
| P51160 | PDE6C | Homo sapiens | Human | PF01590 PF00233 | 6.1 | IC50 | ChEMBL |
| Q13956 | PDE6H | Homo sapiens | Human | PF04868 | 6.1 | IC50 | ChEMBL |