| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5203270
Max Phase: Preclinical
Molecular Formula: C21H23FN2O2
Molecular Weight: 354.43
Associated Items:
Representations
Canonical SMILES: C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1
Standard InChI: InChI=1S/C21H23FN2O2/c1-5-14-24(15-16-6-8-17(22)9-7-16)19-12-10-18(11-13-19)23-20(25)26-21(2,3)4/h1,6-13H,14-15H2,2-4H3,(H,23,25)
Standard InChI Key: RTNAXURTKMSESJ-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: 354.43 | Molecular Weight (Monoisotopic): 354.1744 | AlogP: 4.81 | #Rotatable Bonds: 5 |
| 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: 13.59 | CX Basic pKa: | CX LogP: 5.09 | CX LogD: 5.09 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.78 | Np Likeness Score: -1.64 |
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):