Compound Detail
CHEMBL2078825
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2078825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAAQWLWCHSPTEB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
3.61
ALogP
8
HBA
2
HBD
108.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.3 | nM | 8.37 | TgCDPK1 Enzymatic Inhibition Assay: Inhibitors were evaluated in triplicate in e... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 4.3 | nM | 8.37 | Enzymatic Inhibition Assay: Inhibitors were evaluated in triplicate in eight-poi... | - |
Data from ChEMBL 36 via Core Engine