Compound Detail
CHEMBL189137
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Basic Information
| ChEMBL ID | CHEMBL189137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWPCQQHCIBCAQM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.40
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.18
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.18 | 5.18 | 6553.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 25.0 | nM | 7.6 | In vitro inhibitory concentration against histone deacetylase of DU-145 prostate... | 16107152 |
| Trypanosoma brucei brucei | EC50 | = | 6553.0 | nM | 5.18 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as inhi... | 25637120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107152 | 10.1021/jm0503749 | Histone deacetylase | 1 |
| 25637120 | 10.1016/j.bmc.2014.12.066 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine