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ID: ALA3188358
Max Phase: Preclinical
Molecular Formula: C21H18N2O3
Molecular Weight: 346.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1
Standard InChI: InChI=1S/C21H18N2O3/c1-26-19-13-6-5-12-18(19)23-21(25)16-10-7-11-17(14-16)22-20(24)15-8-3-2-4-9-15/h2-14H,1H3,(H,22,24)(H,23,25)
Standard InChI Key: QVADGDGGPKULIY-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: 346.39 | Molecular Weight (Monoisotopic): 346.1317 | AlogP: 4.20 | #Rotatable Bonds: 5 |
| 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: 4.00 | CX LogD: 4.00 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.73 | Np Likeness Score: -1.30 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):