| 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 |