| Synonyms: | |
| Status: | Approved (2003) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | G04BE09 |
| UNII: | UCE6F4125H |
Structure
| InChI Key | SECKRCOLJRRGGV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H32N6O4S |
| Molecular Weight | 488.61 |
| AlogP | 2.07 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 112.9 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Primary Target | |
|---|---|
| phosphodiesterase 5A |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension, Pulmonary | 3 | D006976 | ClinicalTrials |
| Raynaud Disease | 2 | D011928 | ClinicalTrials |
| Cystic Fibrosis | 2 | D003550 | ClinicalTrials |
| Prostatic Hyperplasia | 2 | D011470 | ClinicalTrials |
| Urinary Bladder, Overactive | 2 | D053201 | ClinicalTrials |
| Tinnitus | 2 | D014012 | ClinicalTrials |
| Reperfusion Injury | 1 | D015427 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 224785-90-4 |
| ChEBI | 46295 |
| ChEMBL | CHEMBL1520 |
| DrugBank | DB00862 |
| DrugCentral | 2809 |
| EPA CompTox | DTXSID3048318 |
| FDA SRS | UCE6F4125H |
| Human Metabolome Database | HMDB0015000 |
| Guide to Pharmacology | 7320 |
| PDB | VDN |
| PharmGKB | PA10229 |
| PubChem | 135400189 |
| SureChEMBL | SCHEMBL5772 |
| ZINC | ZINC000018324776 |
CONTENTS