| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2147030
Max Phase: Preclinical
Molecular Formula: C21H23FN4O
Molecular Weight: 366.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cnc2c(Cc3ccc(F)cc3)c(NC(=O)CC3CCCC3)nn2c1
Standard InChI: InChI=1S/C21H23FN4O/c1-14-12-23-21-18(10-16-6-8-17(22)9-7-16)20(25-26(21)13-14)24-19(27)11-15-4-2-3-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,24,25,27)
Standard InChI Key: IWLZLKNDRVCYFU-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 372 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: 366.44 | Molecular Weight (Monoisotopic): 366.1856 | AlogP: 4.29 | #Rotatable Bonds: 5 |
| Polar Surface Area: 59.29 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.14 | CX Basic pKa: 0.29 | CX LogP: 5.09 | CX LogD: 5.09 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.73 | Np Likeness Score: -1.41 |
References
| 1. Abdel-Magid AF.. (2012) Potassium channel modulators as possible treatment for pain: patent highlight., 3 (8): [PMID:24900517] [10.1021/ml300154z] |
Source
Source(1):