| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4534585
Max Phase: Preclinical
Molecular Formula: C23H25NO
Molecular Weight: 331.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(/C=C2/C(=O)c3ccccc3C2NC2CCCCC2)cc1
Standard InChI: InChI=1S/C23H25NO/c1-16-11-13-17(14-12-16)15-21-22(24-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23(21)25/h5-6,9-15,18,22,24H,2-4,7-8H2,1H3/b21-15+
Standard InChI Key: PTKCYSFUZGTRAX-RCCKNPSSSA-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: 5.24 | #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: 8.31 | CX LogP: 5.45 | CX LogD: 4.49 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: -0.22 |
References
| 1. (2015) Small molecule inhibitors of Dusp6 and uses therefor, |
Source
Source(1):