ELECLAZINE

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Synonyms
Status
Molecule Category UNKNOWN
UNII PUY08529FK

Structure

InChI Key YNUAEEJQYHYLMS-UHFFFAOYSA-N
Smiles O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1
InChI
InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16F3N3O3
Molecular Weight 415.37
AlogP 4.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 64.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0
Assay Description Organism Bioactivity Reference
Inhibition of human NaV1.5 expressed in HEK293 cells assessed as blocking of tefluthrin-induced late sodium currents at 1 uM using -20 mV voltage steps at holding potential of -120 mV by whole cell patch clamp Qpatch method Homo sapiens 42.0 %
Inhibition of human ERG expressed in CHO cells at 1 uM using voltage step to -50 mV for 300 ms from -80 mV holding potential by automated patch clamp assay Homo sapiens 18.0 %
Inhibition of human NaV1.5 expressed in HEK293 cells assessed as blocking of tefluthrin-induced late sodium currents using -20 mV voltage steps at holding potential of -120 mV by whole cell patch clamp Qpatch method Homo sapiens 600.0 nM
Inhibition of human Cav1.2 expressed in CHO cells co-expressing human CACNB2 and CACNA2D1 assessed as reduction in depolarizing test pulse-induced late channel current at 1 uM at -80 mV holding potential incubated for 5 mins by automated patch clamp method based Chan test Homo sapiens 14.0 %
Inhibition of human Cav1.2 expressed in CHO cells co-expressing human CACNB2 and CACNA2D1 assessed as reduction in depolarizing test pulse-induced peak channel current at 1 uM at -80 mV holding potential incubated for 5 mins by automated patch clamp method based Chan test Homo sapiens 32.0 %
Inhibition of human Cav1.2 expressed in CHO cells co-expressing human CACNB2 and CACNA2D1 assessed as reduction in depolarizing test pulse-induced late channel current at 10 uM at -80 mV holding potential incubated for 5 mins by automated patch clamp method based Chan test Homo sapiens 47.0 %
Inhibition of human Cav1.2 expressed in CHO cells co-expressing human CACNB2 and CACNA2D1 assessed as reduction in depolarizing test pulse-induced peak channel current at 10 uM at -80 mV holding potential incubated for 5 mins by automated patch clamp method based Chan test Homo sapiens 79.0 %
Inhibition of human Nav1.1 expressed in HEK293 cells co-expressing human beta1 and beta2 assessed as use dependent blocking of late sodium currents at 1 uM at -120 mV holding potential at 10 Hz frequency by whole-cell voltage-clamp method Homo sapiens 10.0 %
Inhibition of human Nav1.2 expressed in CHO cells assessed as use dependent blocking of late sodium currents at 1 uM at -120 mV holding potential at 10 Hz frequency by whole-cell voltage-clamp method Homo sapiens 19.0 %
Anti-ischemic activity in anesthetized New Zealand rabbit heart assessed as reduction in AUC for ischemia-induced ST segment height measured at 0.25 uM plasma concentration at 0.1 to 0.4 mg/kg, iv bolus dose dosed 30 mins before ischemia followed by reperfusion Oryctolagus cuniculus 55.0 %
Anti-ischemic activity in anesthetized New Zealand rabbit heart assessed as reduction in AUC for ischemia-induced ST segment height measured at 0.5 uM plasma concentration at 0.1 to 0.4 mg/kg, iv bolus dose dosed 30 mins before ischemia followed by reperfusion Oryctolagus cuniculus 93.0 %
Anti-ischemic activity in anesthetized New Zealand rabbit heart assessed as reduction in ischemia-induced ST segment elevation by measuring MAPD90_ATX levels at 1 uM plasma concentration at 0.1 to 0.4 mg/kg, iv bolus dose dosed 30 mins before ischemia followed by reperfusion Oryctolagus cuniculus -56.0 %
Cardioprotective activity in New Zealand rabbit model of LAD coronary artery occlusion-induced ischemia-reperfusion injury assessed as inhibition of ST segment elevation intravenously administered with compound for 30 mins followed by induction of ischemia for 15 mins and subsequent reperfusion for 15 mins by electrocardiographic analysis Oryctolagus cuniculus 190.0 nM
Inhibition of late sodium current channel (unknown origin) at 25 Hz frequency by by whole cell patch clamp technique Homo sapiens 880.0 nM
Inhibition of NaV1.1 (unknown origin) expressed in cells assessed as inhibition of peak INa current at 10 uM at 25 Hz frequency by whole-cell patch clamp method relative to control Homo sapiens 53.0 %
Inhibition of human NaV1.5 expressed in HEK293 cells assessed as inhibition of peak sodium current measured at frequency 3 Hz at -20 mV resting membrane potential at 3 uM by electrophysiology assay relative to control Homo sapiens 24.0 %
Cardioprotective activity in New Zealand White rabbit heart assessed as reversal of ATX-II induced late sodium current prolongation in change in duration of monophasic action potential at 90 percent repolarization by electrocardiographic analysis relative to control Oryctolagus cuniculus 700.0 nM
Cardioprotective activity in New Zealand rabbit model of LAD coronary artery occlusion-induced ischemia-reperfusion injury assessed as inhibition of ST segment elevation at 500 nM for 30 mins followed by induction of ischemia for 15 mins and subsequent reperfusion for 15 mins by electrocardiographic analysis Oryctolagus cuniculus 93.0 %
Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at -120 mV resting membrane potential by electrophysiology assay Homo sapiens 600.0 nM
Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at -80 mV resting membrane potential by electrophysiology assay Homo sapiens 100.0 nM
Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at 0.1 Hz frequency by manual patch clamp technique Homo sapiens 600.0 nM
Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at 1 Hz frequency by manual patch clamp technique Homo sapiens 260.0 nM
Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at 3 Hz frequency by manual patch clamp technique Homo sapiens 100.0 nM
Inhibition of ATX-II induced late sodium current (unknown origin) by manual patch clamp method Homo sapiens 620.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL3707392
DrugBank DB12394
FDA SRS PUY08529FK
Guide to Pharmacology 8413
PubChem 71183216
SureChEMBL SCHEMBL14480722
ZINC ZINC000206191652
CONTENTS