| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3675763
Max Phase: Preclinical
Molecular Formula: C18H24N4O3
Molecular Weight: 344.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(N(CCCCCCC(=O)NO)c2ccccn2)nc1
Standard InChI: InChI=1S/C18H24N4O3/c1-25-15-10-11-17(20-14-15)22(16-8-5-6-12-19-16)13-7-3-2-4-9-18(23)21-24/h5-6,8,10-12,14,24H,2-4,7,9,13H2,1H3,(H,21,23)
Standard InChI Key: XUMPRLGEOUYOMZ-UHFFFAOYSA-N
Associated Targets(Human)
Histone deacetylase 9 708 Activities
Histone deacetylase 2 3971 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Histone deacetylase 1 10854 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Histone deacetylase 6 20808 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 344.42 | Molecular Weight (Monoisotopic): 344.1848 | AlogP: 3.08 | #Rotatable Bonds: 10 |
| Polar Surface Area: 87.58 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.91 | CX Basic pKa: 4.39 | CX LogP: 2.76 | CX LogD: 2.75 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.39 | Np Likeness Score: -0.74 |
References
| 1. (2014) Scriptaid isosteres and their use in therapy, |
Source
Source(1):