Compound Detail
CHEMBL136422
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Basic Information
| ChEMBL ID | CHEMBL136422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLOMFMKNJPVRPK-YRNVUSSQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.62
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human K562 cells after 5 days by MTT assay | 19837593 |
| Plasmodium falciparum | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 19837593 | 10.1016/j.bmc.2009.09.039 | K562 | 1 |
Data from ChEMBL 36 via Core Engine