Compound Detail
CHEMBL565672
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CC1=CC(C)(C)N(Cc2cccc(C(F)(F)F)c2)c2ccc(OCc3cccc(C(F)(F)F)c3)cc21
Basic Information
| ChEMBL ID | CHEMBL565672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRAKHYOIJCQESR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.5
MW (Da)
8.51
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 3600.0 | nM | 5.44 | Antitrypanosomal activity against bloodstream Trypanosoma brucei rhodesiense STI... | 20047276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20047276 | 10.1021/jm900723w | Trypanosoma brucei rhodesiense | 1 |
| 20047276 | 10.1021/jm900723w | L6 | 1 |
| 20047276 | 10.1021/jm900723w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine