Compound Detail
CHEMBL1644662
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Basic Information
| ChEMBL ID | CHEMBL1644662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTYLEAYJGLBAAJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
5.12
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 9200.0 | nM | 5.04 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei s427 af... | 21112788 |
| Trypanosoma brucei rhodesiense | IC50 | = | 43000.0 | nM | 4.37 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... | 21112788 |
| L6 | IC50 | = | 48000.0 | nM | 4.32 | Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay | 21112788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21112788 | 10.1016/j.bmc.2010.11.003 | Trypanosoma brucei rhodesiense | 1 |
| 21112788 | 10.1016/j.bmc.2010.11.003 | Trypanosoma brucei | 1 |
| 21112788 | 10.1016/j.bmc.2010.11.003 | L6 | 1 |
Data from ChEMBL 36 via Core Engine