| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3936499
Max Phase: Preclinical
Molecular Formula: C18H19NO3
Molecular Weight: 297.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1cc(Cc2ccccc2)c(=O)n2c1CCC2
Standard InChI: InChI=1S/C18H19NO3/c1-2-22-18(21)15-12-14(11-13-7-4-3-5-8-13)17(20)19-10-6-9-16(15)19/h3-5,7-8,12H,2,6,9-11H2,1H3
Standard InChI Key: NYRCMXDULCKRAA-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: 297.35 | Molecular Weight (Monoisotopic): 297.1365 | AlogP: 2.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 48.30 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.64 | CX LogD: 2.64 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.81 | Np Likeness Score: -0.42 |
References
| 1. (2016) Indolizinone based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof, |
Source
Source(1):