Synonyms: | |
Status: | Approved (2008) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 563KS2PQY5 |
InChI Key | VPPJLAIAVCUEMN-GFCCVEGCSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C13H18N2O3 |
Molecular Weight | 250.3 |
AlogP | 0.45 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 67.43 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 18.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Lyase
|
- | - | - | 1210 | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated calcium channel
|
- | 50119 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 415-415 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Epilepsy | 4 | D004827 | ClinicalTrials |
Peripheral Nervous System Diseases | 3 | D010523 | ClinicalTrials |
Schizophrenia | 3 | D012559 | ClinicalTrials |
Epilepsies, Partial | 3 | D004828 | ClinicalTrials |
Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
Anxiety | 3 | D001007 | ClinicalTrials |
Dementia | 3 | D003704 | ClinicalTrials |
Status Epilepticus | 3 | D013226 | ClinicalTrials |
Depressive Disorder | 3 | D003866 | ClinicalTrials |
Osteoarthritis | 2 | D010003 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Migraine Disorders | 2 | D008881 | ClinicalTrials |
Glioma | 2 | D005910 | ClinicalTrials |
Brain Neoplasms | 2 | D001932 | ClinicalTrials |
Neuralgia, Postherpetic | 2 | D051474 | ClinicalTrials |
Neuralgia | 2 | D009437 | ClinicalTrials |
Fibromyalgia | 2 | D005356 | ClinicalTrials |
Kidney Diseases | 1 | D007674 | ClinicalTrials |
Amyotrophic Lateral Sclerosis | 1 | D000690 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 135939 |
ChEMBL | CHEMBL58323 |
DrugBank | DB06218 |
DrugCentral | 4310 |
EPA CompTox | DTXSID1057666 |
FDA SRS | 563KS2PQY5 |
Guide to Pharmacology | 7472 |
PharmGKB | PA166160048 |
SureChEMBL | SCHEMBL35330 |
ZINC | ZINC000000007673 |