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ID: ALA3953745
Max Phase: Preclinical
Molecular Formula: C20H16O5
Molecular Weight: 336.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1ccc2c(OCCOCc3ccccc3)c3ccoc3cc2o1
Standard InChI: InChI=1S/C20H16O5/c21-19-7-6-15-18(25-19)12-17-16(8-9-23-17)20(15)24-11-10-22-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
Standard InChI Key: PRFBIGZCKZSWSQ-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel subunit Kv1.1 248 Activities
Voltage-gated potassium channel subunit Kv1.3 1067 Activities
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Voltage-gated potassium channel subunit Kv1.5 1353 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: 336.34 | Molecular Weight (Monoisotopic): 336.0998 | AlogP: 4.13 | #Rotatable Bonds: 6 |
| Polar Surface Area: 61.81 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.46 | CX LogD: 3.46 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.39 | Np Likeness Score: 0.25 |
References
| 1. (2006) 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated kv1.3 potassium channel, |
Source
Source(1):