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ID: ALA3188247
Max Phase: Preclinical
Molecular Formula: C23H28N2O3
Molecular Weight: 380.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1ccccc1NC(=O)c1cccc(NC(=O)CC2CCCCC2)c1
Standard InChI: InChI=1S/C23H28N2O3/c1-2-28-21-14-7-6-13-20(21)25-23(27)18-11-8-12-19(16-18)24-22(26)15-17-9-4-3-5-10-17/h6-8,11-14,16-17H,2-5,9-10,15H2,1H3,(H,24,26)(H,25,27)
Standard InChI Key: JPTRKTMHROTNER-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: 380.49 | Molecular Weight (Monoisotopic): 380.2100 | AlogP: 5.25 | #Rotatable Bonds: 7 |
| Polar Surface Area: 67.43 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.80 | CX Basic pKa: | CX LogP: 4.80 | CX LogD: 4.80 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.69 | Np Likeness Score: -1.63 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):