| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5283704
Max Phase: Preclinical
Molecular Formula: C10H7Cl2N3O2
Molecular Weight: 272.09
Associated Items:
Representations
Canonical SMILES: O=C1NC2=Nc3ccc(Cl)c(Cl)c3CN2C1O
Standard InChI: InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)
Standard InChI Key: KAXTUTDKZVOONF-UHFFFAOYSA-N
Associated Targets(Human)
Phosphodiesterase 3 1749 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 272.09 | Molecular Weight (Monoisotopic): 270.9915 | AlogP: 1.24 | #Rotatable Bonds: 0 |
| Polar Surface Area: 64.93 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.77 | CX Basic pKa: 1.88 | CX LogP: 1.66 | CX LogD: 1.66 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.75 | Np Likeness Score: -0.21 |
References
| 1. Meanwell NA.. (2023) Anagrelide: A Clinically Effective cAMP Phosphodiesterase 3A Inhibitor with Molecular Glue Properties., 14 (4): [PMID:37077378] [10.1021/acsmedchemlett.3c00092] |
Source
Source(1):