Compound Detail
CHEMBL4126272
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Basic Information
| ChEMBL ID | CHEMBL4126272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMHNVNMIOFDRIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
6.39
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284 | IC50 | 7.3 | 7.3 | 50.1 | 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 | = | 50.12 | nM | 7.3 | Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLA... | 29653895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29653895 | 10.1016/j.bmcl.2018.03.034 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 29653895 | 10.1016/j.bmcl.2018.03.034 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine