| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3960139
Max Phase: Preclinical
Molecular Formula: C17H13N3O3S
Molecular Weight: 339.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12
Standard InChI: InChI=1S/C17H13N3O3S/c1-2-23-12-8-9-13-14(10-12)24-16-18-15(21)19(17(22)20(13)16)11-6-4-3-5-7-11/h3-10H,2H2,1H3
Standard InChI Key: FFODJFITZJHCBW-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: 339.38 | Molecular Weight (Monoisotopic): 339.0678 | AlogP: 2.46 | #Rotatable Bonds: 3 |
| Polar Surface Area: 65.60 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.60 | CX LogD: 3.60 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.58 | Np Likeness Score: -1.74 |
References
| 1. (2015) Inhibitors of phosphodiesterase 11 (PDE11), |
Source
Source(1):