| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2141201
Max Phase: Preclinical
Molecular Formula: C26H24N4O3
Molecular Weight: 440.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)cc(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)c1
Standard InChI: InChI=1S/C26H24N4O3/c1-16-11-17(2)13-20(12-16)24(31)28-15-23-18(3)33-26(30-23)19-7-6-8-21(14-19)29-25(32)22-9-4-5-10-27-22/h4-14H,15H2,1-3H3,(H,28,31)(H,29,32)
Standard InChI Key: HPVVIOBKLBEUMP-UHFFFAOYSA-N
Associated Targets(Human)
ATXN2 Tbio Ataxin-2 (54410 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: 440.50 | Molecular Weight (Monoisotopic): 440.1848 | AlogP: 4.84 | #Rotatable Bonds: 6 |
| Polar Surface Area: 97.12 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.81 | CX LogP: 4.31 | CX LogD: 4.31 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.45 | Np Likeness Score: -1.91 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):