Compound Detail
CHEMBL252753
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CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCN(C)CCCNc4c5c(nc6ccccc46)CCCC5)c3C(C1)C2
Basic Information
| ChEMBL ID | CHEMBL252753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFDJQAZBRSGJIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
594.2
MW (Da)
8.55
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 320.0 | nM | 6.5 | Trypanocidal activity against bloodstream form of Trypanosoma brucei 221 assesse... | 25678015 |
| Plasmodium falciparum | IC50 | = | 430.0 | nM | 6.37 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 i... | 25678015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25678015 | 10.1016/j.bmc.2015.01.031 | Trypanosoma brucei | 2 |
| 25678015 | 10.1016/j.bmc.2015.01.031 | Unchecked | 2 |
| 17158047 | 10.1016/j.bmcl.2006.11.022 | Acetylcholinesterase | 1 |
| 25678015 | 10.1016/j.bmc.2015.01.031 | L6 | 1 |
| 25678015 | 10.1016/j.bmc.2015.01.031 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine