Compound Detail
CHEMBL1170809
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Basic Information
| ChEMBL ID | CHEMBL1170809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLFJXECVUDGKBE-AEFFLSMTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.12
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 2800.0 | nM | 5.55 | Antitrypanosomal activity against Trypanosoma brucei brucei | 20558060 |
| HEK293 | IC50 | = | 20400.0 | nM | 4.69 | Cytotoxicity against HEK239 cells after 72 hrs by Alamar blue assay | 20558060 |
| HeLa | IC50 | = | 43000.0 | nM | 4.37 | Cytotoxicity against human HeLa cells after 72 hrs by Alamar blue assay | 20558060 |
| A549 | IC50 | = | 78000.0 | nM | 4.11 | Cytotoxicity against human A549 cells after 72 hrs by Alamar blue assay | 20558060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20558060 | 10.1016/j.bmcl.2010.05.091 | Trypanosoma brucei brucei | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | HEK293 | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | Unchecked | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | A549 | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine