Compound Detail
CHEMBL233049
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CC(C)(CN1C(=O)c2cccc3cc(N)cc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL233049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLEZSDCVIMVUDK-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1182361 |
| Active Moiety | CHEMBL1182361 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
641.9
MW (Da)
5.44
ALogP
5
HBA
1
HBD
100.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.62 | 4.62 | 24250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 24250.0 | nM | 4.62 | Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs | 17239596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17239596 | 10.1016/j.bmcl.2006.12.088 | Trypanosoma brucei brucei | 1 |
| 17239596 | 10.1016/j.bmcl.2006.12.088 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine