| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4865627
Max Phase: Preclinical
Molecular Formula: C12H11BrN2OS
Molecular Weight: 311.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1
Standard InChI: InChI=1S/C12H11BrN2OS/c1-8(16)15-12-14-7-11(17-12)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,15,16)
Standard InChI Key: NOLAWCBZHRJCEK-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: 311.20 | Molecular Weight (Monoisotopic): 309.9775 | AlogP: 3.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 41.99 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.09 | CX Basic pKa: 0.23 | CX LogP: 3.55 | CX LogD: 3.47 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.94 | Np Likeness Score: -1.92 |
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):