| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4791725
Max Phase: Preclinical
Molecular Formula: C17H20F4N2O3
Molecular Weight: 376.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1
Standard InChI: InChI=1S/C17H20F4N2O3/c1-25-15(24)23(10-12-3-2-8-22-12)16(6-7-16)11-4-5-13(18)14(9-11)26-17(19,20)21/h4-5,9,12,22H,2-3,6-8,10H2,1H3/t12-/m0/s1
Standard InChI Key: ULAANWZTQNGIRR-LBPRGKRZSA-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: 376.35 | Molecular Weight (Monoisotopic): 376.1410 | AlogP: 3.53 | #Rotatable Bonds: 5 |
| Polar Surface Area: 50.80 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.55 | CX LogP: 3.83 | CX LogD: 0.93 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.80 | Np Likeness Score: -0.57 |
References
| 1. Blass BE.. (2020) Novel Potassium Channel Inhibitors., 11 (12.0): [PMID:33335651] [10.1021/acsmedchemlett.0c00569] |
Source
Source(1):