Molecule Details
| InChIKey | BBIPVJCGIASXJB-PKTZIBPZSA-N |
|---|---|
| Compound Name | Lenrispodun |
| Canonical SMILES | CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15039 |
|---|---|
| Drug Name | Lenrispodun |
| CAS Number | 1160521-50-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | ITI-214 is under investigation in clinical trial NCT03489772 (Study of ITI-214 in Healthy Volunteers to Determine CNS Engagement). |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50150119 CHEMBL3769414 ChemSpider: 35308202 PDB: 4QJ ZINC: ZINC000142626599
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01064 | PDE1B | Homo sapiens | Human | PF00233 PF08499 | 10.2 | IC50 | ChEMBL;BindingDB |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 6.8 | Ki | ChEMBL;BindingDB |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 6.8 | Ki | ChEMBL |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 6.8 | Ki | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.8 | Ki | ChEMBL |
| Q9NP56 | PDE7B | Homo sapiens | Human | PF00233 | 6.4 | Ki | ChEMBL;BindingDB |
| O76074 | PDE5A | Homo sapiens | Human | PF01590 PF00233 | 6.2 | Ki | ChEMBL;BindingDB |