Compound Detail
CHEMBL43495
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Basic Information
| ChEMBL ID | CHEMBL43495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGTHCWACHMWUJO-FQEVSTJZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.6
MW (Da)
3.14
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.51 | 6.3433 | 310.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 310.0 | nM | 6.51 | In vitro growth inhibitory activity against Trypanosoma brucei strain LAB110 | 11412992 |
| Trypanosoma brucei | IC50 | = | 380.0 | nM | 6.42 | In vitro growth inhibitory activity against Trypanosoma brucei strain K243 | 11412992 |
| Trypanosoma brucei | IC50 | = | 790.0 | nM | 6.1 | In vitro growth inhibitory activity against Trypanosoma brucei strain K243 (As-1... | 11412992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412992 | 10.1016/s0960-894x(01)00315-8 | Trypanosoma brucei | 3 |
Data from ChEMBL 36 via Core Engine