| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1180184
Max Phase: Preclinical
Molecular Formula: C26H30N4+2
Molecular Weight: 398.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc2c(c1)c1cc[n+]2CCCC[n+]2ccc(c3ccccc32)NCCCCN1
Standard InChI: InChI=1S/C26H28N4/c1-3-11-25-21(9-1)23-13-19-29(25)17-7-8-18-30-20-14-24(28-16-6-5-15-27-23)22-10-2-4-12-26(22)30/h1-4,9-14,19-20H,5-8,15-18H2/p+2/b27-23-,28-24+
Standard InChI Key: CSGSQQQPXYIAHO-VRQWBOTBSA-P
Associated Targets(non-human)
Small conductance calcium-activated potassium channel 260 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: 398.55 | Molecular Weight (Monoisotopic): 398.2459 | AlogP: 4.67 | #Rotatable Bonds: 0 |
| Polar Surface Area: 31.82 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -4.58 | CX LogD: -4.58 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.42 | Np Likeness Score: 0.15 |
References
| 1. Galanakis D, Ganellin CR, Chen JQ, Gunasekera D, Dunn PM.. (2004) Bis-quinolinium cyclophanes: toward a pharmacophore model for the blockade of apamin-sensitive SKCa channels in sympathetic neurons., 14 (16): [PMID:15261276] [10.1016/j.bmcl.2004.06.011] |
Source
Source(1):