EZOGABINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2011)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 12G01I6BBU

Structure
InChI Key PCOBBVZJEWWZFR-UHFFFAOYSA-N
Smile CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
InChI
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18FN3O2
Molecular Weight 303.34
AlogP 3.59
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 76.38
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
OPENER KCNQ (Kv7) potassium channel opener FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
1300-1300 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy 4 D004827 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Neuralgia, Postherpetic 2 D051474 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
22.84
Eye disorders
12.68
Psychiatric disorders
12.56
General disorders and administration site conditions
7.99
Musculoskeletal and connective tissue disorders
6.85
Injury, poisoning and procedural complications
6.36
Renal and urinary disorders
4.49
Gastrointestinal disorders
3.71
Respiratory, thoracic and mediastinal disorders
3.67
Skin and subcutaneous tissue disorders
3.26
Vascular disorders
2.73
Cardiac disorders
2.53
Investigations
2.16
Surgical and medical procedures
2.04

Cross References

Resources Reference
CAS NUMBER 150812-12-7
ChEBI 68584
ChEMBL CHEMBL41355
DrugBank DB04953
DrugCentral 4181
EPA CompTox DTXSID40164615
FDA SRS 12G01I6BBU
Guide to Pharmacology 2601
KEGG C13826
PDB FBX
PubChem 121892
SureChEMBL SCHEMBL20835
ZINC ZINC000000016154
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