Compound Detail
CHEMBL126408
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL126408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMCSHOACCJRLSY-NTEUORMPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
342.2
MW (Da)
3.98
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 3 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| 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 | = | 2900.0 | nM | 5.54 | Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinas... | 12930149 |
| 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 |
Data from ChEMBL 36 via Core Engine