| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1934602
Max Phase: Preclinical
Molecular Formula: C23H34O2
Molecular Weight: 342.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCC#Cc1ccccc1C(=O)OC
Standard InChI: InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)23(24)25-2/h16-17,19-20H,3-14H2,1-2H3
Standard InChI Key: IFXJYMLQOXOSRV-UHFFFAOYSA-N
Associated Targets(Human)
Histone acetyltransferase KAT5 85 Activities
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: 342.52 | Molecular Weight (Monoisotopic): 342.2559 | AlogP: 6.53 | #Rotatable Bonds: 12 |
| Polar Surface Area: 26.30 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 8.30 | CX LogD: 8.30 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.25 | Np Likeness Score: 0.04 |
References
| 1. Ghizzoni M, Wu J, Gao T, Haisma HJ, Dekker FJ, George Zheng Y.. (2012) 6-alkylsalicylates are selective Tip60 inhibitors and target the acetyl-CoA binding site., 47 [PMID:22100137] [10.1016/j.ejmech.2011.11.001] |
Source
Source(1):