| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4871988
Max Phase: Preclinical
Molecular Formula: C11H9N3S
Molecular Weight: 215.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1ccc(Cc2cnc(N)s2)cc1
Standard InChI: InChI=1S/C11H9N3S/c12-6-9-3-1-8(2-4-9)5-10-7-14-11(13)15-10/h1-4,7H,5H2,(H2,13,14)
Standard InChI Key: NUWMUMONNDCDEZ-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: 215.28 | Molecular Weight (Monoisotopic): 215.0517 | AlogP: 2.19 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.70 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.32 | CX LogP: 2.57 | CX LogD: 2.56 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.83 | Np Likeness Score: -1.71 |
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):