| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4873345
Max Phase: Preclinical
Molecular Formula: C12H10BrClN2OS
Molecular Weight: 345.65
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(CCl)Nc1ncc(Cc2ccc(Br)cc2)s1
Standard InChI: InChI=1S/C12H10BrClN2OS/c13-9-3-1-8(2-4-9)5-10-7-15-12(18-10)16-11(17)6-14/h1-4,7H,5-6H2,(H,15,16,17)
Standard InChI Key: IHCCIECQTFCSTF-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: 345.65 | Molecular Weight (Monoisotopic): 343.9386 | AlogP: 3.67 | #Rotatable Bonds: 4 |
| 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: 7.87 | CX Basic pKa: 0.21 | CX LogP: 4.08 | CX LogD: 3.97 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.86 | Np Likeness Score: -2.08 |
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):