Compound Detail
CHEMBL3272812
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Basic Information
| ChEMBL ID | CHEMBL3272812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEUHUHFQFVKURD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
1.63
ALogP
9
HBA
0
HBD
89.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.46 | 4.4 | 35000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of phosphodiesterase (peak-1) isolated from pig coronary artery asses... | 177782 |
| Unchecked | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of phosphodiesterase (peak-1) isolated from pig coronary artery asses... | 177782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 177782 | 10.1021/jm00226a010 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine