Compound Detail
CHEMBL512836
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Basic Information
| ChEMBL ID | CHEMBL512836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIAXTIPXNTWVKY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
1.75
ALogP
8
HBA
5
HBD
157.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.02 | 9300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of CAMK2 assessed as level of ATP utilized by luciferase-based biolum... | 19296652 |
| Unchecked | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of CK2 assessed as level of ATP utilized by luciferase-based biolumin... | 19296652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19296652 | 10.1021/jm801445c | Unchecked | 2 |
| 19296652 | 10.1021/jm801445c | Jurkat | 1 |
| 19296652 | 10.1021/jm801445c | Heat shock protein beta-1 | 1 |
Data from ChEMBL 36 via Core Engine