Compound Detail
CHEMBL466659
PENTAERYTHRITOL TETRANITRATE 🧪 Phase III
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🧪 Phase III
O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL466659 |
| Name | PENTAERYTHRITOL TETRANITRATE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | TZRXHJWUDPFEEY-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
12
Known Names
1
Indications
1
Mechanisms
Molecular Properties
316.1
MW (Da)
-1.19
ALogP
12
HBA
0
HBD
209.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Soluble guanylate cyclase activator | ACTIVATOR | Soluble guanylate cyclase | ✓ | ✓ |
Indications
Cardiovascular Diseases
ATC Classification
C01DA05
pentaerithrityl tetranitrate
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
C01DA55
pentaerithrityl tetranitrate, combinations
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
EC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 7.0 | nM | 8.15 | Vasorelaxant activity in pig pulmonary artery by organ bath experiment | 19406636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19406636 | 10.1016/j.bmcl.2008.04.057 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine