| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4553489
Max Phase: Preclinical
Molecular Formula: C23H25NO
Molecular Weight: 331.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1/C(=C/c2ccccc2)C(NC2CCCCCC2)c2ccccc21
Standard InChI: InChI=1S/C23H25NO/c25-23-20-15-9-8-14-19(20)22(24-18-12-6-1-2-7-13-18)21(23)16-17-10-4-3-5-11-17/h3-5,8-11,14-16,18,22,24H,1-2,6-7,12-13H2/b21-16+
Standard InChI Key: ZGDBRRMKZJPOOS-LTGZKZEYSA-N
Associated Targets(non-human)
Dual specificity protein phosphatase 45 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 331.46 | Molecular Weight (Monoisotopic): 331.1936 | AlogP: 5.32 | #Rotatable Bonds: 3 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.40 | CX LogP: 5.39 | CX LogD: 4.35 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.61 | Np Likeness Score: -0.08 |
References
| 1. (2015) Small molecule inhibitors of Dusp6 and uses therefor, |
Source
Source(1):