Trade Names: | |
Synonyms: | |
Status: | Approved (2010) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | BH3B64OKL9 |
InChI Key | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C5H6N2 |
Molecular Weight | 94.12 |
AlogP | 0.66 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 38.91 |
Molecular species | BASE |
Aromatic Rings | 1.0 |
Heavy Atoms | 7.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 89000 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 1-4 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Spinal Cord Injuries | 3 | D013119 | ClinicalTrials |
Stroke | 3 | D020521 | ClinicalTrials |
Multiple Sclerosis, Relapsing-Remitting | 3 | D020529 | ClinicalTrials |
Multiple Sclerosis, Chronic Progressive | 3 | D020528 | ClinicalTrials |
Muscle Spasticity | 3 | D009128 | ClinicalTrials |
Ischemic Stroke | 3 | D000083242 | ClinicalTrials |
Prostatic Diseases | 2 | D011469 | ClinicalTrials |
Sleep Apnea, Obstructive | 2 | D020181 | ClinicalTrials |
Trauma, Nervous System | 2 | D020196 | ClinicalTrials |
Muscular Atrophy, Spinal | 2 | D009134 | ClinicalTrials |
Guillain-Barre Syndrome | 2 | D020275 | ClinicalTrials |
Cerebral Palsy | 1 | D002547 | ClinicalTrials |
Renal Insufficiency | 1 | D051437 | ClinicalTrials |
Motor Neuron Disease | 1 | D016472 | ClinicalTrials |
Optic Neuritis | 0 | D009902 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 504-24-5 |
ChEBI | 34385 |
ChEMBL | CHEMBL284348 |
DrugBank | DB06637 |
DrugCentral | 4163 |
EPA CompTox | DTXSID0023870 |
FDA SRS | BH3B64OKL9 |
Guide to Pharmacology | 2416 |
KEGG | C13728 |
PDB | 4AP |
PharmGKB | PA166123389 |
PubChem | 1727 |
SureChEMBL | SCHEMBL53483 |
ZINC | ZINC000000599985 |