| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1934601
Max Phase: Preclinical
Molecular Formula: C24H30O5
Molecular Weight: 398.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1C(C)=O
Standard InChI: InChI=1S/C24H30O5/c1-3-4-5-6-7-15-29-22-14-12-18(16-20(22)17(2)25)11-13-19-9-8-10-21(26)23(19)24(27)28/h8-10,12,14,16,26H,3-7,11,13,15H2,1-2H3,(H,27,28)
Standard InChI Key: ZWCULPROBFMYQB-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: 398.50 | Molecular Weight (Monoisotopic): 398.2093 | AlogP: 5.43 | #Rotatable Bonds: 12 |
| Polar Surface Area: 83.83 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 2.63 | CX Basic pKa: | CX LogP: 6.57 | CX LogD: 3.07 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.37 | Np Likeness Score: 0.27 |
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):