| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1240702
Max Phase: Preclinical
Molecular Formula: C15H19NO
Molecular Weight: 229.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CC(NC2CCCCC2)c2ccccc21
Standard InChI: InChI=1S/C15H19NO/c17-15-10-14(12-8-4-5-9-13(12)15)16-11-6-2-1-3-7-11/h4-5,8-9,11,14,16H,1-3,6-7,10H2
Standard InChI Key: JZZUZPRNBHHNMQ-UHFFFAOYSA-N
Associated Targets(Human)
Dual specificity protein phosphatase 1 78 Activities
Dual specificity protein phosphatase 6 80 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Dual specificity protein phosphatase 45 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 229.32 | Molecular Weight (Monoisotopic): 229.1467 | AlogP: 3.24 | #Rotatable Bonds: 2 |
| Polar Surface Area: 29.10 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.97 | CX LogP: 2.89 | CX LogD: 1.31 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.84 | Np Likeness Score: -0.01 |
References
| 1. Molina G, Vogt A, Bakan A, Dai W, Queiroz de Oliveira P, Znosko W, Smithgall TE, Bahar I, Lazo JS, Day BW, Tsang M, Tsang M.. (2009) Zebrafish chemical screening reveals an inhibitor of Dusp6 that expands cardiac cell lineages., 5 (9): [PMID:19578332] [10.1038/nchembio.190] |
| 2. (2015) Small molecule inhibitors of Dusp6 and uses therefor, |
Source
Source(2):