| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4549514
Max Phase: Preclinical
Molecular Formula: C15H13Cl2N3O
Molecular Weight: 322.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NNC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21
Standard InChI: InChI=1S/C15H13Cl2N3O/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)20(13)6-5-15(21)19-18/h1-4,7-8H,5-6,18H2,(H,19,21)
Standard InChI Key: JMPSXEYKMMRZKX-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: 322.20 | Molecular Weight (Monoisotopic): 321.0436 | AlogP: 3.48 | #Rotatable Bonds: 3 |
| Polar Surface Area: 60.05 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.22 | CX Basic pKa: 3.27 | CX LogP: 3.13 | CX LogD: 3.13 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.44 | Np Likeness Score: -1.35 |
References
| 1. (2016) Modulation of k2p channels, |
Source
Source(1):