| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA456274
Max Phase: Preclinical
Molecular Formula: C17H15ClN4O2
Molecular Weight: 342.79
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(O)c(NC(=O)c2cn(Cc3ccccc3Cl)nn2)c1
Standard InChI: InChI=1S/C17H15ClN4O2/c1-11-6-7-16(23)14(8-11)19-17(24)15-10-22(21-20-15)9-12-4-2-3-5-13(12)18/h2-8,10,23H,9H2,1H3,(H,19,24)
Standard InChI Key: LGKFCSUOXXDTDC-UHFFFAOYSA-N
Associated Targets(non-human)
Calcium-activated potassium channel subunit alpha-1 119 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: 342.79 | Molecular Weight (Monoisotopic): 342.0884 | AlogP: 3.25 | #Rotatable Bonds: 4 |
| Polar Surface Area: 80.04 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.10 | CX Basic pKa: | CX LogP: 4.04 | CX LogD: 4.03 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.71 | Np Likeness Score: -2.31 |
References
| 1. Calderone V, Fiamingo FL, Amato G, Giorgi I, Livi O, Martelli A, Martinotti E.. (2008) 1,2,3-Triazol-carboxanilides and 1,2,3-triazol-(N-benzyl)-carboxamides as BK-potassium channel activators. XII., 43 (11): [PMID:18400336] [10.1016/j.ejmech.2008.02.032] |
Source
Source(1):