| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3971986
Max Phase: Preclinical
Molecular Formula: C25H19ClN4
Molecular Weight: 410.91
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1
Standard InChI: InChI=1S/C25H19ClN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
Standard InChI Key: RSXVVJAUAPZTFT-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: 410.91 | Molecular Weight (Monoisotopic): 410.1298 | AlogP: 6.79 | #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: 4.67 | CX LogP: 7.20 | CX LogD: 7.20 |
| Aromatic Rings: 5 | Heavy Atoms: 30 | QED Weighted: 0.35 | Np Likeness Score: -1.50 |
References
| 1. (2015) Inhibitors of phosphodiesterase 11 (PDE11), |
Source
Source(1):