| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2420542
Max Phase: Preclinical
Molecular Formula: C17H20ClN3O3S
Molecular Weight: 381.89
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1Cl
Standard InChI: InChI=1S/C17H20ClN3O3S/c1-11-5-7-13(9-15(11)18)19-17(22)20-14-8-6-12(2)16(10-14)25(23,24)21(3)4/h5-10H,1-4H3,(H2,19,20,22)
Standard InChI Key: FEGDABVRKQZXDI-UHFFFAOYSA-N
Associated Targets(Human)
Kir3.1/Kir3.4 583 Activities
Kir3.1/Kir3.2 445 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 381.89 | Molecular Weight (Monoisotopic): 381.0914 | AlogP: 3.85 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.51 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.48 | CX Basic pKa: | CX LogP: 3.80 | CX LogD: 3.80 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.84 | Np Likeness Score: -2.08 |
References
| 1. Ramos-Hunter SJ, Engers DW, Kaufmann K, Du Y, Lindsley CW, Weaver CD, Sulikowski GA.. (2013) Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators., 23 (18): [PMID:23916258] [10.1016/j.bmcl.2013.07.002] |
Source
Source(1):