| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4859302
Max Phase: Preclinical
Molecular Formula: C16H7ClF3NO3
Molecular Weight: 353.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(Cl)c2c1[nH]c1c3ccc(C(F)(F)F)cc3oc12
Standard InChI: InChI=1S/C16H7ClF3NO3/c17-9-4-3-8(15(22)23)12-11(9)14-13(21-12)7-2-1-6(16(18,19)20)5-10(7)24-14/h1-5,21H,(H,22,23)
Standard InChI Key: UHBYURHTVOBWFN-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: 353.68 | Molecular Weight (Monoisotopic): 353.0067 | AlogP: 5.44 | #Rotatable Bonds: 1 |
| Polar Surface Area: 66.23 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.53 | CX Basic pKa: | CX LogP: 4.42 | CX LogD: 1.05 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.48 | Np Likeness Score: -0.43 |
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):