| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3944933
Max Phase: Preclinical
Molecular Formula: C24H17FN4
Molecular Weight: 380.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)cc1
Standard InChI: InChI=1S/C24H17FN4/c25-18-11-13-20(14-12-18)29-15-21(17-7-3-1-4-8-17)22-23(26-16-27-24(22)29)28-19-9-5-2-6-10-19/h1-16H,(H,26,27,28)
Standard InChI Key: IHIAJFFBZBEPNG-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: 380.43 | Molecular Weight (Monoisotopic): 380.1437 | AlogP: 5.97 | #Rotatable Bonds: 4 |
| 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: 4.62 | CX LogP: 6.22 | CX LogD: 6.22 |
| Aromatic Rings: 5 | Heavy Atoms: 29 | QED Weighted: 0.42 | Np Likeness Score: -1.42 |
References
| 1. (2015) Inhibitors of phosphodiesterase 11 (PDE11), |
Source
Source(1):