The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
ID: ALA5286246
Max Phase: Preclinical
Molecular Formula: C16H8Cl2FN3O
Molecular Weight: 348.16
Associated Items:
Representations Canonical SMILES: Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(C#N)cc1Cl
Standard InChI: InChI=1S/C16H8Cl2FN3O/c1-8-2-14(23)15-12(19)6-21-7-13(15)22(8)16-10(17)3-9(5-20)4-11(16)18/h2-4,6-7H,1H3
Standard InChI Key: MLKRCEWWRVAFRU-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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: 348.16Molecular Weight (Monoisotopic): 347.0028AlogP: 4.01#Rotatable Bonds: 1Polar Surface Area: 58.68Molecular Species: NEUTRALHBA: 4HBD: 0#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 1.18CX LogP: 3.68CX LogD: 3.68Aromatic Rings: 3Heavy Atoms: 23QED Weighted: 0.67Np Likeness Score: -1.28
References 1. Peukert S, Gulgeze Efthymiou HB, Mo R, Peng Y, Ma F, Barbe G, Bebernitz G, Fridrich C, Buono C, Williams ET, Daniels T, Li L, Zhang X, Adachi Y, Abe M, Taggart AKP.. (2023) Discovery of a brain-sparing GIRK1/4 inhibitor for pharmacological cardioversion of atrial fibrillation., 85 [PMID:36924945 ] [10.1016/j.bmcl.2023.129237 ]
