| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392641
Max Phase: Preclinical
Molecular Formula: C23H28N4O4S
Molecular Weight: 456.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c21
Standard InChI: InChI=1S/C23H28N4O4S/c1-5-27-17(4)24-21-12-18(25-32(29,30)19-9-7-6-8-10-19)11-20(22(21)27)23(28)26-13-15(2)31-16(3)14-26/h6-12,15-16,25H,5,13-14H2,1-4H3/t15-,16+
Standard InChI Key: NZIPPIIUQJUEQW-IYBDPMFKSA-N
Associated Targets(Human)
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: 456.57 | Molecular Weight (Monoisotopic): 456.1831 | AlogP: 3.41 | #Rotatable Bonds: 5 |
| Polar Surface Area: 93.53 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.57 | CX Basic pKa: 5.72 | CX LogP: 2.25 | CX LogD: 2.16 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.64 | Np Likeness Score: -1.85 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):