Compound Detail
CHEMBL561334
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Basic Information
| ChEMBL ID | CHEMBL561334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKMFUDJYEMHEKH-MRVPVSSYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
2.99
ALogP
4
HBA
2
HBD
54.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 9.0 | 8.15 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of CDK2 | 19616942 |
| MAP kinase-activated protein kinase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of MK2 | 19616942 |
| MAP kinase-activated protein kinase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of MK2 in human U937 cells assessed as blockade of LPS-stimulated TNF... | 19616942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19616942 | 10.1016/j.bmcl.2009.02.017 | MAP kinase-activated protein kinase 2 | 2 |
| 19616942 | 10.1016/j.bmcl.2009.02.017 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine