| 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 |