| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2145418
Max Phase: Preclinical
Molecular Formula: C24H30ClN5O2
Molecular Weight: 455.99
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)CC1
Standard InChI: InChI=1S/C24H30ClN5O2/c1-16-15-21(29-12-9-19(10-13-29)24(31)26-11-4-14-32-3)30-23(27-16)22(17(2)28-30)18-5-7-20(25)8-6-18/h5-8,15,19H,4,9-14H2,1-3H3,(H,26,31)
Standard InChI Key: MELKNEAFOMKNFC-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: 455.99 | Molecular Weight (Monoisotopic): 455.2088 | AlogP: 4.04 | #Rotatable Bonds: 7 |
| Polar Surface Area: 71.76 | 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: 2.44 | CX LogP: 2.87 | CX LogD: 2.87 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.54 | Np Likeness Score: -1.80 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):