Compound Detail
CHEMBL1644665
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CC(=O)Oc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)C(C)(C)C=C2C
Basic Information
| ChEMBL ID | CHEMBL1644665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIPVHVHDTKVKIS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
7.50
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 9000.0 | nM | 5.05 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... | 21112788 |
| Trypanosoma brucei | IC50 | = | 15000.0 | nM | 4.82 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei s427 af... | 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