Compound Detail
CHEMBL266808
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Basic Information
| ChEMBL ID | CHEMBL266808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTIFZAYADDLTTD-MRTLOADZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
1.60
ALogP
6
HBA
4
HBD
107.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.36 | 6.225 | 440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 440.0 | nM | 6.36 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Trypanosoma brucei | IC50 | = | 810.0 | nM | 6.09 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620080 | 10.1021/jm020375q | Trypanosoma brucei | 3 |
| 12620080 | 10.1021/jm020375q | Mus musculus | 1 |
| 12620080 | 10.1021/jm020375q | Calf thymus DNA | 1 |
| 12620080 | 10.1021/jm020375q | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine