Compound Detail
CHEMBL249808
PENTAERYTHRITYL MONONITRATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL249808 |
| Name | PENTAERYTHRITYL MONONITRATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHVYBZNTBGYKKV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
181.1
MW (Da)
-1.84
ALogP
6
HBA
3
HBD
113.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.14 | 4.14 | 72000.0 | 1 |
| Molecular identity unknown CHEMBL612546 | EC50 | 4.14 | 4.14 | 72500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 72500.0 | nM | 4.14 | Vasodilatory effect in pig pulmonary artery assessed as inhibition of PGF2-alpha... | 17855086 |
| NON-PROTEIN TARGET | EC50 | = | 72000.0 | nM | 4.14 | Vasorelaxant activity in pig pulmonary artery by organ bath experiment | 19406636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17855086 | 10.1016/j.bmcl.2007.08.046 | Molecular identity unknown | 2 |
| 19406636 | 10.1016/j.bmcl.2008.04.057 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine