| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4853895
Max Phase: Preclinical
Molecular Formula: C11H12N2S
Molecular Weight: 204.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cccc(Cc2cnc(N)s2)c1
Standard InChI: InChI=1S/C11H12N2S/c1-8-3-2-4-9(5-8)6-10-7-13-11(12)14-10/h2-5,7H,6H2,1H3,(H2,12,13)
Standard InChI Key: MGQBSRMDCGCJHR-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: 204.30 | Molecular Weight (Monoisotopic): 204.0721 | AlogP: 2.62 | #Rotatable Bonds: 2 |
| Polar Surface Area: 38.91 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.32 | CX LogP: 3.23 | CX LogD: 3.22 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.82 | Np Likeness Score: -1.50 |
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):