Compound Detail
CHEMBL603826
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Basic Information
| ChEMBL ID | CHEMBL603826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOLOMJAOICYCFS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
5.11
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 1500.0 | nM | 5.82 | Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs by lumi... | 19963377 |
| HepG2 | IC50 | = | 2500.0 | nM | 5.6 | Cytotoxicity against human HepG2 cells after 72 hrs | 19963377 |
| Plasmodium falciparum | IC50 | = | 7300.0 | nM | 5.14 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human O+ e... | 19963377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19963377 | 10.1016/j.bmcl.2009.11.022 | Trypanosoma brucei brucei | 1 |
| 19963377 | 10.1016/j.bmcl.2009.11.022 | Plasmodium falciparum | 1 |
| 19963377 | 10.1016/j.bmcl.2009.11.022 | HepG2 | 1 |
| 19963377 | 10.1016/j.bmcl.2009.11.022 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine