Compound Detail
CHEMBL1796025
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Basic Information
| ChEMBL ID | CHEMBL1796025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDMJQCMUSFNVCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.58
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-1 CHEMBL6093 | IC50 | 4.2 | 4.2 | 62680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-1 | IC50 | = | 62680.0 | nM | 4.2 | Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate... | 21514702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21514702 | 10.1016/j.ejmech.2011.03.057 | Calmodulin-1 | 1 |
| 21514702 | 10.1016/j.ejmech.2011.03.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine