Synonyms: | |
Status: | Approved (1953) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C02DB02 |
UNII: | 26NAK24LS8 |
InChI Key | RPTUSVTUFVMDQK-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C8H8N4 |
Molecular Weight | 160.18 |
AlogP | 0.92 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 63.83 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 12.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 900-2360 | - | - | 61 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4A
|
- | - | - | - | 0 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4B
|
- | - | - | - | 0 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4C
|
- | - | - | - | 0 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4D
|
- | - | - | - | 0 | |
Epigenetic regulator
Reader
Methyl-lysine/arginine binding protein
PWWP domain
|
- | - | - | - | 109 | |
Epigenetic regulator
Writer
DNA methyltransferase
|
- | - | - | - | 109 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 7 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hypertension | 4 | D006973 | ClinicalTrials |
Coronary Disease | 3 | D003327 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
Atherosclerosis | 3 | D050197 | ClinicalTrials |
Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
Uterine Cervical Neoplasms | 3 | D002583 | ClinicalTrials |
Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
Stroke | 2 | D020521 | ClinicalTrials |
Pre-Eclampsia | 2 | D011225 | ClinicalTrials |
Heart Diseases | 2 | D006331 | ClinicalTrials |
Cerebral Hemorrhage | 2 | D002543 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Heart Failure | 2 | D006333 | ClinicalTrials |
Neoplasms | 2 | D009369 | ClinicalTrials |
Lung Neoplasms | 1 | D008175 | ClinicalTrials |
Rectal Neoplasms | 1 | D012004 | ClinicalTrials |
Polycystic Kidney Diseases | 0 | D007690 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 86-54-4 |
ChEBI | 5775 |
ChEMBL | CHEMBL276832 |
DrugBank | DB01275 |
DrugCentral | 1384 |
EPA CompTox | DTXSID4023129 |
FDA SRS | 26NAK24LS8 |
Human Metabolome Database | HMDB0015400 |
Guide to Pharmacology | 7326 |
KEGG | C07040 |
PDB | HLZ |
PharmGKB | PA449894 |
PubChem | 3637 |
SureChEMBL | SCHEMBL7810 |
ZINC | ZINC000012360535 |