| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3946774
Max Phase: Preclinical
Molecular Formula: C25H19FN4
Molecular Weight: 394.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4)ncnc32)cc1
Standard InChI: InChI=1S/C25H19FN4/c26-20-11-13-21(14-12-20)30-16-22(19-9-5-2-6-10-19)23-24(28-17-29-25(23)30)27-15-18-7-3-1-4-8-18/h1-14,16-17H,15H2,(H,27,28,29)
Standard InChI Key: OFZZKPVPEOVWLS-UHFFFAOYSA-N
Associated Targets(Human)
Phosphodiesterase 11A 449 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 394.45 | Molecular Weight (Monoisotopic): 394.1594 | AlogP: 5.84 | #Rotatable Bonds: 5 |
| Polar Surface Area: 42.74 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.57 | CX LogP: 5.98 | CX LogD: 5.97 |
| Aromatic Rings: 5 | Heavy Atoms: 30 | QED Weighted: 0.41 | Np Likeness Score: -1.35 |
References
| 1. (2015) Inhibitors of phosphodiesterase 11 (PDE11), |
Source
Source(1):