| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286810
Max Phase: Preclinical
Molecular Formula: C17H19F3N4O2
Molecular Weight: 368.36
Associated Items:
Representations
Canonical SMILES: C[C@H]1CCCN1[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
Standard InChI: InChI=1S/C17H19F3N4O2/c1-10-4-3-9-24(10)11(2)21-15(25)13-7-5-12(6-8-13)14-22-16(26-23-14)17(18,19)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,25)/t10-,11-/m0/s1
Standard InChI Key: YJAMXBPNZSQSOR-QWRGUYRKSA-N
Associated Targets(Human)
Histone deacetylase 4 2328 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 368.36 | Molecular Weight (Monoisotopic): 368.1460 | AlogP: 3.32 | #Rotatable Bonds: 4 |
| Polar Surface Area: 71.26 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.20 | CX LogP: 3.57 | CX LogD: 3.35 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.90 | Np Likeness Score: -1.51 |
References
| 1. Ahamad S, Bhat SA.. (2022) The Emerging Landscape of Small-Molecule Therapeutics for the Treatment of Huntington's Disease., 65 (24.0): [PMID:36490325] [10.1021/acs.jmedchem.2c00799] |
Source
Source(1):