| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | B01AC23 |
| UNII: | N7Z035406B |
Structure
| InChI Key | RRGUKTPIGVIEKM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H27N5O2 |
| Molecular Weight | 369.47 |
| AlogP | 3.46 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 81.93 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Phosphodiesterase 3A inhibitor | DailyMed |
| Primary Target | |
|---|---|
| phosphodiesterase 3B |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3A
|
- | 190-840 | - | - | - | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3B
|
- | 190-840 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated calcium channel
|
- | 91200 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 207 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 16600 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cerebral Infarction | 3 | D002544 | ClinicalTrials |
| Coronary Disease | 3 | D003327 | ClinicalTrials |
| Peripheral Vascular Diseases | 3 | D016491 | ClinicalTrials |
| Cardiovascular Diseases | 3 | D002318 | ClinicalTrials |
| Cerebrovascular Disorders | 3 | D002561 | ClinicalTrials |
| Peripheral Arterial Disease | 3 | D058729 | ClinicalTrials |
| Atherosclerosis | 3 | D050197 | ClinicalTrials |
| Intermittent Claudication | 2 | D007383 | ClinicalTrials |
| Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Cerebral Small Vessel Diseases | 2 | D059345 | ClinicalTrials |
| Osteoarthritis | 1 | D010003 | ClinicalTrials |
| Pain | 1 | D010146 | ClinicalTrials |
| Fatty Liver | 1 | D005234 | ClinicalTrials |
| CADASIL | 1 | D046589 | ClinicalTrials |
Related Entries
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 73963-72-1 |
| ChEBI | 31401 |
| ChEMBL | CHEMBL799 |
| DrugBank | DB01166 |
| DrugCentral | 644 |
| EPA CompTox | DTXSID9045132 |
| FDA SRS | N7Z035406B |
| Human Metabolome Database | HMDB0015297 |
| Guide to Pharmacology | 7148 |
| PharmGKB | PA164746334 |
| PubChem | 2754 |
| SureChEMBL | SCHEMBL16128 |
| ZINC | ZINC000001552174 |
CONTENTS