Compound Detail
CHEMBL108888
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Basic Information
| ChEMBL ID | CHEMBL108888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHGKYYRQGUSTGE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
3.05
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase Pfmrk | IC50 | = | 400.0 | nM | 6.4 | Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia ... | 20627564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703465 | 10.1021/jm9801760 | Human immunodeficiency virus type 1 integrase | 2 |
| 20627564 | 10.1016/j.bmcl.2010.05.039 | Protein kinase Pfmrk | 1 |
Data from ChEMBL 36 via Core Engine