Molecule Details
| InChIKey | MZDYWLVQWRQFMV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxypropane-1-sulfonic acid |
| Canonical SMILES | O=C1Nc2c(Cl)ccc(OCCCS(=O)(=O)O)c2C2(CCCCC2)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13946 | PDE7A | Homo sapiens | Human | PF00233 | 8.0 | IC50 | ChEMBL;BindingDB |
| P54750 | PDE1A | Homo sapiens | Human | PF00233 PF08499 | 6.2 | IC50 | ChEMBL |
| Q01064 | PDE1B | Homo sapiens | Human | PF00233 PF08499 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q14123 | PDE1C | Homo sapiens | Human | PF00233 PF08499 | 6.2 | IC50 | ChEMBL |