| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA140877
Max Phase: Preclinical
Molecular Formula: C16H14O5
Molecular Weight: 286.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCOCc1c2ccoc2c(OC)c2oc(=O)ccc12
Standard InChI: InChI=1S/C16H14O5/c1-3-7-19-9-12-10-4-5-13(17)21-15(10)16(18-2)14-11(12)6-8-20-14/h3-6,8H,1,7,9H2,2H3
Standard InChI Key: UCKDAKNRBRBCCG-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel subunit Kv1.1 248 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 286.28 | Molecular Weight (Monoisotopic): 286.0841 | AlogP: 3.25 | #Rotatable Bonds: 5 |
| 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: 2.39 | CX LogD: 2.39 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.41 | Np Likeness Score: 1.12 |
References
| 1. Wulff H, Rauer H, Düring T, Hanselmann C, Ruff K, Wrisch A, Grissmer S, Hänsel W.. (1998) Alkoxypsoralens, novel nonpeptide blockers of Shaker-type K+ channels: synthesis and photoreactivity., 41 (23): [PMID:9804693] [10.1021/jm981032o] |
Source
Source(1):