| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3856076
Max Phase: Preclinical
Molecular Formula: C19H29N5O3S2
Molecular Weight: 439.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCSCC3)c2n1C
Standard InChI: InChI=1S/C19H29N5O3S2/c1-13(2)10-17-20-16-12-14(21-29(26,27)22(3)4)11-15(18(16)23(17)5)19(25)24-6-8-28-9-7-24/h11-13,21H,6-10H2,1-5H3
Standard InChI Key: YEXAFJFSKNSDOI-UHFFFAOYSA-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: 439.61 | Molecular Weight (Monoisotopic): 439.1712 | AlogP: 2.18 | #Rotatable Bonds: 6 |
| Polar Surface Area: 87.54 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.44 | CX Basic pKa: 5.55 | CX LogP: 1.06 | CX LogD: 1.05 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.75 | Np Likeness Score: -1.90 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):