| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2112000
Max Phase: Preclinical
Molecular Formula: C9H8N2O2
Molecular Weight: 176.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c2ccc(=O)[nH]c2cc[n+]1[O-]
Standard InChI: InChI=1S/C9H8N2O2/c1-6-7-2-3-9(12)10-8(7)4-5-11(6)13/h2-5H,1H3,(H,10,12)
Standard InChI Key: AHRSWVMNWQOYPY-UHFFFAOYSA-N
Associated Targets(Human)
Phosphodiesterase 3 1749 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: 176.17 | Molecular Weight (Monoisotopic): 176.0586 | AlogP: 0.47 | #Rotatable Bonds: 0 |
| Polar Surface Area: 59.80 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.28 | CX LogP: -0.70 | CX LogD: -0.70 |
| Aromatic Rings: 2 | Heavy Atoms: 13 | QED Weighted: 0.47 | Np Likeness Score: 0.16 |
References
| 1. Singh B, Lesher GY, Pluncket KC, Pagani ED, Bode DC, Bentley RG, Connell MJ, Hamel LT, Silver PJ.. (1992) Novel cAMP PDE III inhibitors: 1,6-naphthyridin-2(1H)-ones., 35 (26): [PMID:1336055] [10.1021/jm00104a012] |
Source
Source(1):