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ID: ALA3908386
Max Phase: Preclinical
Molecular Formula: C22H20O5
Molecular Weight: 364.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1ccc2c(OCCCCOCc3ccccc3)c3ccoc3cc2o1
Standard InChI: InChI=1S/C22H20O5/c23-21-9-8-17-20(27-21)14-19-18(10-13-25-19)22(17)26-12-5-4-11-24-15-16-6-2-1-3-7-16/h1-3,6-10,13-14H,4-5,11-12,15H2
Standard InChI Key: HMOVAWBSEVWMGS-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel subunit Kv1.3 1067 Activities
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: 364.40 | Molecular Weight (Monoisotopic): 364.1311 | AlogP: 4.92 | #Rotatable Bonds: 8 |
| 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: 4.04 | CX LogD: 4.04 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.33 | Np Likeness Score: 0.32 |
References
| 1. (2006) 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated kv1.3 potassium channel, |
Source
Source(1):