| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4562694
Max Phase: Preclinical
Molecular Formula: C21H21NO
Molecular Weight: 303.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1/C(=C/c2ccccc2)C(N2CCCCC2)c2ccccc21
Standard InChI: InChI=1S/C21H21NO/c23-21-18-12-6-5-11-17(18)20(22-13-7-2-8-14-22)19(21)15-16-9-3-1-4-10-16/h1,3-6,9-12,15,20H,2,7-8,13-14H2/b19-15+
Standard InChI Key: BAHQYEATYGDCKK-XDJHFCHBSA-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: 303.41 | Molecular Weight (Monoisotopic): 303.1623 | AlogP: 4.49 | #Rotatable Bonds: 2 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.57 | CX LogP: 4.38 | CX LogD: 3.98 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.76 | Np Likeness Score: -0.11 |
References
| 1. (2015) Small molecule inhibitors of Dusp6 and uses therefor, |
Source
Source(1):