Compound Detail
CHEMBL388891
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Br.Br.CN(CCCCCCN(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O
Basic Information
| ChEMBL ID | CHEMBL388891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJKJHXIICWWRML-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185096 |
| Active Moiety | CHEMBL1185096 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
618.8
MW (Da)
6.09
ALogP
6
HBA
0
HBD
81.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.49 | 5.49 | 3240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 30.0 | nM | 7.52 | Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs | 17239596 |
| ADMET | IC50 | = | 3240.0 | nM | 5.49 | Cytotoxicity against J774.1 cells 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