| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA8069
Max Phase: Preclinical
Molecular Formula: C16H10ClFN2O2
Molecular Weight: 316.72
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(Cl)c(C2(F)C(=O)Nc3c(C#N)cccc32)c1
Standard InChI: InChI=1S/C16H10ClFN2O2/c1-22-10-5-6-13(17)12(7-10)16(18)11-4-2-3-9(8-19)14(11)20-15(16)21/h2-7H,1H3,(H,20,21)
Standard InChI Key: YVQQRDMMEJVMGI-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel subunit Kv4.3 100 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 316.72 | Molecular Weight (Monoisotopic): 316.0415 | AlogP: 3.39 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.12 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.81 | CX Basic pKa: | CX LogP: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.92 | Np Likeness Score: -0.78 |
References
| 1. Hewawasam P, Gribkoff VK, Pendri Y, Dworetzky SI, Meanwell NA, Martinez E, Boissard CG, Post-Munson DJ, Trojnacki JT, Yeleswaram K, Pajor LM, Knipe J, Gao Q, Perrone R, Starrett JE.. (2002) The synthesis and characterization of BMS-204352 (MaxiPost) and related 3-fluorooxindoles as openers of maxi-K potassium channels., 12 (7): [PMID:11909708] [10.1016/s0960-894x(02)00101-4] |
Source
Source(1):