FLINDOKALNER

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII J57O328W4W
EPA CompTox DTXSID70870176

Structure

InChI Key ULYONBAOIMCNEH-HNNXBMFYSA-N
Smiles COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21
InChI
InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10ClF4NO2
Molecular Weight 359.71
AlogP 4.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Calcium-activated potassium channel subunit alpha-1 opener OPENER PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Calcium-activated potassium channel
352 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
352 - - - -
Rattus norvegicus
- 352 - - -

Target Conservation

Protein: Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3)
Description: Potassium voltage-gated channel subfamily KQT member 3
Organism : Homo sapiens
O43525 ENSG00000184156
Protein: Voltage-gated potassium channel subunit Kv7.2
Description: Potassium voltage-gated channel subfamily KQT member 2
Organism : Homo sapiens
O43526 ENSG00000075043
Protein: Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3)
Description: Potassium voltage-gated channel subfamily KQT member 2
Organism : Homo sapiens
O43526 ENSG00000075043
Protein: Calcium-activated potassium channel subunit alpha-1
Description: Calcium-activated potassium channel subunit alpha-1
Organism : Homo sapiens
Q12791 ENSG00000156113
Protein: Voltage-gated potassium channel subunit Kv7.5
Description: Potassium voltage-gated channel subfamily KQT member 5
Organism : Homo sapiens
Q9NR82 ENSG00000185760

Cross References

Resources Reference
ChEMBL CHEMBL266510
FDA SRS J57O328W4W
Guide to Pharmacology 2307
SureChEMBL SCHEMBL4877314
ZINC ZINC000000839816
CONTENTS