| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4468526
Max Phase: Preclinical
Molecular Formula: C20H17N3O2S
Molecular Weight: 363.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(-n2nc(Sc3ccc(C)cc3)c(C)c(C#N)c2=O)cc1
Standard InChI: InChI=1S/C20H17N3O2S/c1-13-4-10-17(11-5-13)26-19-14(2)18(12-21)20(24)23(22-19)15-6-8-16(25-3)9-7-15/h4-11H,1-3H3
Standard InChI Key: YMRVCZZVGOWQDN-UHFFFAOYSA-N
Associated Targets(Human)
Potassium channel subfamily K member 3 756 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: 363.44 | Molecular Weight (Monoisotopic): 363.1041 | AlogP: 3.88 | #Rotatable Bonds: 4 |
| Polar Surface Area: 67.91 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.33 | CX LogD: 4.33 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.70 | Np Likeness Score: -1.55 |
References
| 1. Bedoya M, Rinné S, Kiper AK, Decher N, González W, Ramírez D.. (2019) TASK Channels Pharmacology: New Challenges in Drug Design., 62 (22): [PMID:31260312] [10.1021/acs.jmedchem.9b00248] |
Source
Source(1):