Compound Detail
CHEMBL4852523
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Basic Information
| ChEMBL ID | CHEMBL4852523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPATWHLHNLJLTB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
5.26
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284 | IC50 | 7.89 | 7.05 | 13.0 | 3 |
| Calcium/calmodulin-dependent protein kinase kinase 1 CHEMBL5256 | IC50 | 6.62 | 6.62 | 239.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase kinase 2 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human CAMKK2 using CAMKKtide as substrate assessed as residual act... | 34264658 |
| Calcium/calmodulin-dependent protein kinase kinase 2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of NanoLuc-fused CAMKK2 (unknown origin) expressed in HEK293 cells af... | 34264658 |
| Calcium/calmodulin-dependent protein kinase kinase 1 | IC50 | = | 239.0 | nM | 6.62 | Inhibition of human CAMKK1 using CAMKKtide as substrate assessed as residual act... | 34264658 |
| Calcium/calmodulin-dependent protein kinase kinase 2 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of CAMKK2 in human LNCaP C4-2 cells assessed as reduction AMPK phosph... | 34264658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34264658 | 10.1021/acs.jmedchem.0c02274 | Calcium/calmodulin-dependent protein kinase kinase 2 | 7 |
| 34264658 | 10.1021/acs.jmedchem.0c02274 | Calcium/calmodulin-dependent protein kinase kinase 1 | 1 |
| 34264658 | 10.1021/acs.jmedchem.0c02274 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine