| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5199050
Max Phase: Preclinical
Molecular Formula: C24H21FN2O2
Molecular Weight: 388.44
Associated Items:
Representations
Canonical SMILES: C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCc2ccccc2)cc1
Standard InChI: InChI=1S/C24H21FN2O2/c1-2-16-27(17-19-8-10-21(25)11-9-19)23-14-12-22(13-15-23)26-24(28)29-18-20-6-4-3-5-7-20/h1,3-15H,16-18H2,(H,26,28)
Standard InChI Key: QQGJTBZONBVLGT-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: 388.44 | Molecular Weight (Monoisotopic): 388.1587 | AlogP: 5.21 | #Rotatable Bonds: 7 |
| Polar Surface Area: 41.57 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.60 | CX Basic pKa: | CX LogP: 5.76 | CX LogD: 5.76 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.56 | Np Likeness Score: -1.46 |
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):