| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3958781
Max Phase: Preclinical
Molecular Formula: C24H18O7
Molecular Weight: 418.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1ccc2ccc(OCCCCOc3c4ccoc4cc4oc(=O)ccc34)cc2o1
Standard InChI: InChI=1S/C24H18O7/c25-22-7-4-15-3-5-16(13-19(15)30-22)27-10-1-2-11-29-24-17-6-8-23(26)31-21(17)14-20-18(24)9-12-28-20/h3-9,12-14H,1-2,10-11H2
Standard InChI Key: KXOBAZGZVFEVMY-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel subunit Kv1.3 1067 Activities
Voltage-gated potassium channel subunit Kv1.5 1353 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 418.40 | Molecular Weight (Monoisotopic): 418.1053 | AlogP: 4.88 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.02 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.82 | CX LogD: 3.82 |
| Aromatic Rings: 5 | Heavy Atoms: 31 | QED Weighted: 0.27 | Np Likeness Score: 0.46 |
References
| 1. (2006) 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated kv1.3 potassium channel, |
Source
Source(1):