| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4084655
Max Phase: Preclinical
Molecular Formula: C12H14N2O
Molecular Weight: 202.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)c1ccc2cc(C(N)=O)[nH]c2c1
Standard InChI: InChI=1S/C12H14N2O/c1-7(2)8-3-4-9-6-11(12(13)15)14-10(9)5-8/h3-7,14H,1-2H3,(H2,13,15)
Standard InChI Key: PNTHLTUANCYMTH-UHFFFAOYSA-N
Associated Targets(Human)
EIF4A3 Tchem Eukaryotic initiation factor 4A-III (131 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: 202.26 | Molecular Weight (Monoisotopic): 202.1106 | AlogP: 2.39 | #Rotatable Bonds: 2 |
| Polar Surface Area: 58.88 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.09 | CX LogD: 2.09 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.77 | Np Likeness Score: -0.68 |
References
| 1. Ito M, Iwatani M, Kamada Y, Sogabe S, Nakao S, Tanaka T, Kawamoto T, Aparicio S, Nakanishi A, Imaeda Y.. (2017) Discovery of selective ATP-competitive eIF4A3 inhibitors., 25 (7): [PMID:28283335] [10.1016/j.bmc.2017.02.035] |
Source
Source(1):