| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA331513
Max Phase: Preclinical
Molecular Formula: C24H28N2
Molecular Weight: 344.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(-c2ccc(-c3c[nH]c(CCCC4CCCCC4)n3)cc2)cc1
Standard InChI: InChI=1S/C24H28N2/c1-3-8-19(9-4-1)10-7-13-24-25-18-23(26-24)22-16-14-21(15-17-22)20-11-5-2-6-12-20/h2,5-6,11-12,14-19H,1,3-4,7-10,13H2,(H,25,26)
Standard InChI Key: PPZOEJFEHZJIHU-UHFFFAOYSA-N
Associated Targets(Human)
SH-SY5Y (11521 Activities)
Associated Targets(non-human)
Scn2a Sodium channel alpha subunits; brain (Types I, II, III) (344 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 344.50 | Molecular Weight (Monoisotopic): 344.2252 | AlogP: 6.65 | #Rotatable Bonds: 6 |
| Polar Surface Area: 28.68 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.34 | CX LogP: 6.85 | CX LogD: 6.81 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.53 | Np Likeness Score: -0.46 |
References
| 1. Liberatore AM, Schulz J, Pommier J, Barthelemy MA, Huchet M, Chabrier PE, Bigg D.. (2004) 2-Alkyl-4-arylimidazoles: structurally novel sodium channel modulators., 14 (13): [PMID:15177465] [10.1016/j.bmcl.2004.04.059] |
Source
Source(1):