Compound Detail
CHEMBL127798
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Basic Information
| ChEMBL ID | CHEMBL127798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVBIXEJMWRHSLL-MDWZMJQESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.2
MW (Da)
3.81
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 5.85 | 5.85 | 1400.0 | 3 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase Pfmrk | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinas... | 12930149 |
| Protein kinase Pfmrk | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Plasmodium falciparum cyclin-dependent kinase | 15481979 |
| Protein kinase Pfmrk | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Plasmodium falciparum 6His-tagged MRK expressed in Escherichia col... | 29771541 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of human Cyclin-dependent kinase 1 cyclin B | 12930149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930149 | 10.1021/jm0300983 | Protein kinase Pfmrk | 2 |
| 12930149 | 10.1021/jm0300983 | Plasmodium falciparum | 2 |
| 12930149 | 10.1021/jm0300983 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15481979 | 10.1021/jm040108f | Protein kinase Pfmrk | 1 |
| 29771541 | 10.1021/acs.jmedchem.8b00329 | Plasmodium falciparum | 1 |
| 29771541 | 10.1021/acs.jmedchem.8b00329 | Protein kinase Pfmrk | 1 |
Data from ChEMBL 36 via Core Engine