| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3926005
Max Phase: Preclinical
Molecular Formula: C12H18O
Molecular Weight: 178.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCC/C=C1/C(=O)C=CC1C
Standard InChI: InChI=1S/C12H18O/c1-3-4-5-6-7-11-10(2)8-9-12(11)13/h7-10H,3-6H2,1-2H3/b11-7+
Standard InChI Key: UCQPULIXYHBRFC-YRNVUSSQSA-N
Associated Targets(Human)
Heat shock factor protein 28 Activities
Nuclear factor NF-kappa-B complex 2307 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 |
|---|
Properties
| Molecular Weight: 178.27 | Molecular Weight (Monoisotopic): 178.1358 | AlogP: 3.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.94 | CX LogD: 3.94 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.48 | Np Likeness Score: 2.19 |
References
| 1. (2004) Cyclopentanone and cyclopentanone derivatives as potent activators of HSF-1, |
Source
Source(1):