| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4847828
Max Phase: Preclinical
Molecular Formula: C10H9N3O2S
Molecular Weight: 235.27
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ncc(Cc2ccc([N+](=O)[O-])cc2)s1
Standard InChI: InChI=1S/C10H9N3O2S/c11-10-12-6-9(16-10)5-7-1-3-8(4-2-7)13(14)15/h1-4,6H,5H2,(H2,11,12)
Standard InChI Key: AXKCGSYWZUULOS-UHFFFAOYSA-N
Associated Targets(Human)
Calcium-activated potassium channel subunit alpha-1 435 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: 235.27 | Molecular Weight (Monoisotopic): 235.0415 | AlogP: 2.22 | #Rotatable Bonds: 3 |
| Polar Surface Area: 82.05 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.31 | CX LogP: 2.65 | CX LogD: 2.65 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.65 | Np Likeness Score: -1.65 |
References
| 1. Qi XL, Jo H, Wang XY, Ji TT, Lin HX, Park CS, Cui YM.. (2021) Synthesis and BK channel-opening activity of 2-amino-1,3-thiazole derivatives., 43 [PMID:33964448] [10.1016/j.bmcl.2021.128083] |
Source
Source(1):