Compound Detail
CHEMBL3272811
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Basic Information
| ChEMBL ID | CHEMBL3272811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROKRDRWKDAMJJE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.97
ALogP
6
HBA
0
HBD
44.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.2 | 2700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of phosphodiesterase (peak-1) isolated from pig coronary artery asses... | 177782 |
| Unchecked | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of phosphodiesterase (peak-1) isolated from pig coronary artery asses... | 177782 |
| Unchecked | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of phosphodiesterase (peak-2) isolated from pig coronary artery asses... | 177782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 177782 | 10.1021/jm00226a010 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine