| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2013) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C02KX05 |
| UNII: | RU3FE2Y4XI |
Structure
| InChI Key | WXXSNCNJFUAIDG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H19FN8O2 |
| Molecular Weight | 422.42 |
| AlogP | 2.44 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 138.07 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| POSITIVE ALLOSTERIC MODULATOR | Soluble guanylate cyclase positive allosteric modulator |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 10.26-27.08 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -11.83--2.71 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Raynaud Disease | 2 | D011928 | ClinicalTrials |
| Scleroderma, Localized | 2 | D012594 | ClinicalTrials |
| Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
| Ulcer | 2 | D014456 | ClinicalTrials |
| Coronary Disease | 2 | D003327 | ClinicalTrials |
| Ischemic Stroke | 2 | D000083242 | ClinicalTrials |
| Cystic Fibrosis | 2 | D003550 | ClinicalTrials |
| Scleroderma, Systemic | 2 | D012595 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
Related Entries
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 625115-55-1 |
| ChEBI | 76018 |
| ChEMBL | CHEMBL2107834 |
| DrugBank | DB08931 |
| DrugCentral | 4807 |
| FDA SRS | RU3FE2Y4XI |
| Guide to Pharmacology | 5257 |
| PDB | GZO |
| PubChem | 11304743 |
| SureChEMBL | SCHEMBL245457 |
| ZINC | ZINC000003819392 |
CONTENTS