| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5198333
Max Phase: Preclinical
Molecular Formula: C17H14F2N2O2
Molecular Weight: 316.31
Associated Items:
Representations
Canonical SMILES: C#CCN(c1ccc(NC(=O)OC)cc1)c1ccc(F)c(F)c1
Standard InChI: InChI=1S/C17H14F2N2O2/c1-3-10-21(14-8-9-15(18)16(19)11-14)13-6-4-12(5-7-13)20-17(22)23-2/h1,4-9,11H,10H2,2H3,(H,20,22)
Standard InChI Key: LBAJAWUSHYQBJO-UHFFFAOYSA-N
Associated Targets(non-human)
Voltage-gated potassium channel subunit Kv7.2 268 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 316.31 | Molecular Weight (Monoisotopic): 316.1023 | AlogP: 3.91 | #Rotatable Bonds: 4 |
| Polar Surface Area: 41.57 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.55 | CX Basic pKa: | CX LogP: 4.01 | CX LogD: 4.01 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.87 | Np Likeness Score: -1.71 |
References
| 1. Zhang YM, Xu HY, Hu HN, Tian FY, Chen F, Liu HN, Zhan L, Pi XP, Liu J, Gao ZB, Nan FJ.. (2021) Discovery of HN37 as a Potent and Chemically Stable Antiepileptic Drug Candidate., 64 (9.0): [PMID:33929863] [10.1021/acs.jmedchem.0c02252] |
Source
Source(1):