Compound Detail
CHEMBL2078797
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Basic Information
| ChEMBL ID | CHEMBL2078797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFRVFSTUCKJLTD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
5.14
ALogP
7
HBA
1
HBD
82.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | TgCDPK1 Enzymatic Inhibition Assay: Inhibitors were evaluated in triplicate in e... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 3.0 | nM | 8.52 | Enzymatic Inhibition Assay: Inhibitors were evaluated in triplicate in eight-poi... | - |
Data from ChEMBL 36 via Core Engine