Synonyms: | |
Status: | Approved (1948) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | D11AX26 |
UNII: | 3G6A5W338E |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C8H10N4O2 |
Molecular Weight | 194.19 |
AlogP | -1.03 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 61.82 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 14.0 |
Primary Target | |
---|---|
A1 receptor | |
A2A receptor | |
A2B receptor | |
A3 receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | 7250 | - | 10200 | - | |
Enzyme
Oxidoreductase
|
- | - | - | - | 16 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 1
Phosphodiesterase 1A
|
- | 70000 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 1
Phosphodiesterase 1B
|
- | 70000 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 1
Phosphodiesterase 1C
|
- | 70000 | - | - | - | |
Enzyme
Transferase
|
- | 75000 | - | - | - | |
Enzyme
|
- | 74900-100000 | - | 10200 | 16 | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 10 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Adenosine receptor
|
- | 63000 | 25119 | 17000-59000 | 30 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -2-104 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Attention Deficit Disorder with Hyperactivity | 4 | D001289 | ClinicalTrials |
Neck Pain | 3 | D019547 | ClinicalTrials |
Parkinson Disease | 3 | D010300 | ClinicalTrials |
Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
Alzheimer Disease | 3 | D000544 | ClinicalTrials |
Obesity | 3 | D009765 | ClinicalTrials |
Intermittent Claudication | 3 | D007383 | ClinicalTrials |
Multiple Sclerosis, Relapsing-Remitting | 3 | D020529 | ClinicalTrials |
Migraine with Aura | 3 | D020325 | ClinicalTrials |
Migraine without Aura | 3 | D020326 | ClinicalTrials |
Common Cold | 3 | D003139 | ClinicalTrials |
Headache | 3 | D006261 | ClinicalTrials |
Hypoxia | 3 | D000860 | ClinicalTrials |
Back Pain | 3 | D001416 | ClinicalTrials |
Dysmenorrhea | 3 | D004412 | ClinicalTrials |
Low Back Pain | 3 | D017116 | ClinicalTrials |
Coronary Disease | 3 | D003327 | ClinicalTrials |
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Dyspnea | 2 | D004417 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Tension-Type Headache | 2 | D018781 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 1 | D064129 | ClinicalTrials |
Non-alcoholic Fatty Liver Disease | 1 | D065626 | ClinicalTrials |
Spinal Cord Injuries | 1 | D013119 | ClinicalTrials |
Narcolepsy | 1 | D009290 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Colitis, Ulcerative | 1 | D003093 | ClinicalTrials |
HIV Infections | 1 | D015658 | ClinicalTrials |
Chronic Pain | 1 | D059350 | ClinicalTrials |
Amyotrophic Lateral Sclerosis | 1 | D000690 | ClinicalTrials |
Dermatitis, Atopic | 1 | D003876 | ClinicalTrials |
Crohn Disease | 1 | D003424 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Psoriasis | 1 | D011565 | ClinicalTrials |
Arthritis, Rheumatoid | 1 | D001172 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
Alcoholism | 1 | D000437 | ClinicalTrials |
Mitochondrial Diseases | 1 | D028361 | ClinicalTrials |
Anemia | 1 | D000740 | ClinicalTrials |
Amblyopia | 1 | D000550 | ClinicalTrials |
Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
Communicable Diseases | 1 | D003141 | ClinicalTrials |
Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
Hepatitis C, Chronic | 1 | D019698 | ClinicalTrials |
Voice Disorders | 0 | D014832 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 58-08-2 |
ChEBI | 27732 |
ChEMBL | CHEMBL113 |
DrugBank | DB00201 |
DrugCentral | 463 |
EPA CompTox | DTXSID0020232 |
FDA SRS | 3G6A5W338E |
Human Metabolome Database | HMDB0001847 |
Guide to Pharmacology | 407 |
KEGG | C07481 |
PDB | CFF |
PharmGKB | PA448710 |
PubChem | 2519 |
SureChEMBL | SCHEMBL5671 |
ZINC | ZINC000000001084 |