Compound Detail
CHEMBL466661
PENTAERYTHRITYL DINITRATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL466661 |
| Name | PENTAERYTHRITYL DINITRATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHSHCLPXMPQXCS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
226.1
MW (Da)
-1.63
ALogP
8
HBA
2
HBD
145.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 2100.0 | nM | 5.68 | 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