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ID: ALA3187977
Max Phase: Preclinical
Molecular Formula: C23H22N2O3
Molecular Weight: 374.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1
Standard InChI: InChI=1S/C23H22N2O3/c1-3-28-21-10-5-4-9-20(21)25-23(27)18-7-6-8-19(15-18)24-22(26)17-13-11-16(2)12-14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
Standard InChI Key: RARYDGLIONLLKZ-UHFFFAOYSA-N
Associated Targets(Human)
Potassium channel subfamily K member 9 192 Activities
Potassium channel subfamily K member 3 756 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 374.44 | Molecular Weight (Monoisotopic): 374.1630 | AlogP: 4.90 | #Rotatable Bonds: 6 |
| Polar Surface Area: 67.43 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.87 | CX LogD: 4.87 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.64 | Np Likeness Score: -1.60 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):