| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4571960
Max Phase: Preclinical
Molecular Formula: C20H19Cl2N5O
Molecular Weight: 416.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Clc1ccc2c(c1)C1(CCOCC1)c1cc(Cl)ccc1N2CCc1nnn[nH]1
Standard InChI: InChI=1S/C20H19Cl2N5O/c21-13-1-3-17-15(11-13)20(6-9-28-10-7-20)16-12-14(22)2-4-18(16)27(17)8-5-19-23-25-26-24-19/h1-4,11-12H,5-10H2,(H,23,24,25,26)
Standard InChI Key: HPKAQFRFDYGVHN-UHFFFAOYSA-N
Associated Targets(Human)
Potassium channel subfamily K member 2 490 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 416.31 | Molecular Weight (Monoisotopic): 415.0967 | AlogP: 4.30 | #Rotatable Bonds: 3 |
| Polar Surface Area: 66.93 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.99 | CX Basic pKa: | CX LogP: 4.02 | CX LogD: 2.47 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.69 | Np Likeness Score: -1.23 |
References
| 1. (2018) Modulation of K2P channels, |
| 2. (2016) Modulation of k2p channels, |
Source
Source(1):