Compound Detail
CHEMBL44039
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Basic Information
| ChEMBL ID | CHEMBL44039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAZJCKNKDYTSSK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.6
MW (Da)
2.75
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.14 | 4.115 | 73000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 73000.0 | nM | 4.14 | In vitro growth inhibitory activity against Trypanosoma brucei strain LAB110 | 11412992 |
| Trypanosoma brucei | IC50 | = | 73000.0 | nM | 4.14 | In vitro growth Inhibitory activity against LAB 110 Strain of Trypanosoma brucei | 11141084 |
| Trypanosoma brucei | IC50 | = | 81500.0 | nM | 4.09 | In vitro growth inhibitory activity against Trypanosoma brucei strain K243 | 11412992 |
| Trypanosoma brucei | IC50 | = | 81500.0 | nM | 4.09 | In vitro growth Inhibitory activity against K243 Strain of Trypanosoma brucei. | 11141084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412992 | 10.1016/s0960-894x(01)00315-8 | Trypanosoma brucei | 4 |
| 11141084 | 10.1021/jm000084m | Trypanosoma brucei | 4 |
| 11412992 | 10.1016/s0960-894x(01)00315-8 | Encephalitozoon cuniculi | 1 |
Data from ChEMBL 36 via Core Engine