| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4536117
Max Phase: Preclinical
Molecular Formula: C17H13Cl2NO2
Molecular Weight: 334.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)[C@H]1C[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1
Standard InChI: InChI=1S/C17H13Cl2NO2/c18-10-1-3-15-13(7-10)14-8-11(19)2-4-16(14)20(15)12-5-9(6-12)17(21)22/h1-4,7-9,12H,5-6H2,(H,21,22)/t9-,12+
Standard InChI Key: ICHZIOIWUBMYFR-WVSHTKLVSA-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: 334.20 | Molecular Weight (Monoisotopic): 333.0323 | AlogP: 5.14 | #Rotatable Bonds: 2 |
| Polar Surface Area: 42.23 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.32 | CX Basic pKa: | CX LogP: 4.66 | CX LogD: 1.71 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.71 | Np Likeness Score: -0.23 |
References
| 1. (2018) Modulation of K2P channels, |
| 2. (2016) Modulation of k2p channels, |
Source
Source(1):