| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2145408
Max Phase: Preclinical
Molecular Formula: C22H32N4O3
Molecular Weight: 400.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC1CN(CCNC(=O)c2cc(C(C)C)nn2C)Cc2cc(OC)ccc2O1
Standard InChI: InChI=1S/C22H32N4O3/c1-6-17-14-26(13-16-11-18(28-5)7-8-21(16)29-17)10-9-23-22(27)20-12-19(15(2)3)24-25(20)4/h7-8,11-12,15,17H,6,9-10,13-14H2,1-5H3,(H,23,27)
Standard InChI Key: HDUBMSQJVWQBRC-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: 400.52 | Molecular Weight (Monoisotopic): 400.2474 | AlogP: 2.96 | #Rotatable Bonds: 7 |
| Polar Surface Area: 68.62 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.82 | CX LogP: 2.97 | CX LogD: 2.86 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.77 | Np Likeness Score: -1.32 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):