Compound Detail
CHEMBL4851892
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Basic Information
| ChEMBL ID | CHEMBL4851892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INEGAMNZHSDHEF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
6.02
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284 | IC50 | 6.84 | 6.56 | 145.0 | 2 |
| Calcium/calmodulin-dependent protein kinase kinase 1 CHEMBL5256 | IC50 | 5.83 | 5.83 | 1480.0 | 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 | = | 145.0 | nM | 6.84 | Inhibition of human CAMKK2 using CAMKKtide as substrate assessed as residual act... | 34264658 |
| Calcium/calmodulin-dependent protein kinase kinase 2 | IC50 | = | 530.0 | nM | 6.28 | Inhibition of NanoLuc-fused CAMKK2 (unknown origin) expressed in HEK293 cells af... | 34264658 |
| Calcium/calmodulin-dependent protein kinase kinase 1 | IC50 | = | 1480.0 | nM | 5.83 | Inhibition of human CAMKK1 using CAMKKtide as substrate assessed as residual act... | 34264658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34264658 | 10.1021/acs.jmedchem.0c02274 | Calcium/calmodulin-dependent protein kinase kinase 2 | 5 |
| 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