| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3856074
Max Phase: Preclinical
Molecular Formula: C22H29N5O3S2
Molecular Weight: 475.64
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCc4sccc4C3)c2n1C
Standard InChI: InChI=1S/C22H29N5O3S2/c1-14(2)10-20-23-18-12-16(24-32(29,30)25(3)4)11-17(21(18)26(20)5)22(28)27-8-6-19-15(13-27)7-9-31-19/h7,9,11-12,14,24H,6,8,10,13H2,1-5H3
Standard InChI Key: NWAOIXDPFVJZFI-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: 475.64 | Molecular Weight (Monoisotopic): 475.1712 | AlogP: 3.25 | #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: 5.54 | CX LogP: 2.38 | CX LogD: 2.37 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.59 | Np Likeness Score: -2.11 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):