ID: ALA5185425
Chembl Id: CHEMBL5185425
PubChem CID: 168282197
Max Phase: Preclinical
Molecular Formula: C19H23Cl2N3O2
Molecular Weight: 396.32
Associated Items:
Canonical SMILES: Cc1cc(N(C)C(=O)COc2ccc(Cl)cc2Cl)n(C2CCCCC2)n1
Standard InChI: InChI=1S/C19H23Cl2N3O2/c1-13-10-18(24(22-13)15-6-4-3-5-7-15)23(2)19(25)12-26-17-9-8-14(20)11-16(17)21/h8-11,15H,3-7,12H2,1-2H3
Standard InChI Key: ZQGQUGXMJWGULW-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 396.32 | Molecular Weight (Monoisotopic): 395.1167 | AlogP: 5.05 | #Rotatable Bonds: 5 |
| Polar Surface Area: 47.36 | Molecular Species: NEUTRAL | HBA: 4 | HBD: ┄ |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.55 | CX Basic pKa: 2.72 | CX LogP: 4.25 | CX LogD: 4.25 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.71 | Np Likeness Score: -1.78 |
| 1. Sharma S, Lesiak L, Aretz CD, Du Y, Kumar S, Gautam N, Alnouti Y, Dhuria NV, Chhonker YS, Weaver CD, Hopkins CR.. (2021) Discovery, synthesis and biological characterization of a series of N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-yl)acetamide ethers as novel GIRK1/2 potassium channel activators., 12 (8.0): [PMID:34458739] [10.1039/D1MD00129A] |
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