Structure

InChI Key NUKYPUAOHBNCPY-UHFFFAOYSA-N
Smile Nc1ccncc1
InChI
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)

Physicochemical Descriptors

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

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated potassium channel blocker FDA PubMed

Indications

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

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
21.67
General disorders and administration site conditions
20.94
Musculoskeletal and connective tissue disorders
11.03
Injury, poisoning and procedural complications
6.86
Psychiatric disorders
5.87
Skin and subcutaneous tissue disorders
4.34
Gastrointestinal disorders
4.32
Vascular disorders
3.39
Infections and infestations
3.16
Renal and urinary disorders
2.69
Surgical and medical procedures
2.6
Investigations
2.4
Cardiac disorders
2.28
Respiratory, thoracic and mediastinal disorders
2.16

Cross References

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