| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4744833
Max Phase: Preclinical
Molecular Formula: C18H22F4N2O2
Molecular Weight: 374.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)N(C[C@H]1CCCN1C)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
Standard InChI: InChI=1S/C18H22F4N2O2/c1-23-9-3-4-13(23)11-24(16(25)26-2)17(7-8-17)12-5-6-15(19)14(10-12)18(20,21)22/h5-6,10,13H,3-4,7-9,11H2,1-2H3/t13-/m1/s1
Standard InChI Key: QSACBKBMELRLBA-CYBMUJFWSA-N
Associated Targets(Human)
Intermediate conductance calcium-activated potassium channel protein 4 87 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: 374.38 | Molecular Weight (Monoisotopic): 374.1617 | AlogP: 4.00 | #Rotatable Bonds: 4 |
| Polar Surface Area: 32.78 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.42 | CX LogP: 3.65 | CX LogD: 2.60 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.75 | Np Likeness Score: -0.80 |
References
| 1. Blass BE.. (2020) Novel Potassium Channel Inhibitors., 11 (12.0): [PMID:33335651] [10.1021/acsmedchemlett.0c00569] |
Source
Source(1):