Compound Detail
CHEMBL2013149
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Basic Information
| ChEMBL ID | CHEMBL2013149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOSYGXWUUNKDOP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.17
ALogP
5
HBA
0
HBD
70.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.11 | 4.11 | 77400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 930.0 | nM | 6.03 | Growth inhibition of epimastigote form of Trypanosoma cruzi CL-B5 after 72 hrs b... | 23124218 |
| Trypanosoma brucei rhodesiense | IC50 | = | 20000.0 | nM | 4.7 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 by Alam... | 22738640 |
| L6 | IC50 | = | 77400.0 | nM | 4.11 | Cytotoxicity against rat L6 cells | 22738640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23124218 | 10.1016/j.ejmech.2012.10.009 | Trypanosoma cruzi | 11 |
| 23124218 | 10.1016/j.ejmech.2012.10.009 | J774 | 10 |
| 22000935 | 10.1016/j.ejmech.2011.07.053 | Danio rerio | 7 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | L6 | 1 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | Trypanosoma brucei rhodesiense | 1 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine