Compound Detail
CHEMBL3982145
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)COn1nnc2ccccc21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL3982145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXUMDSBLVBSYHD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
677.8
MW (Da)
4.54
ALogP
11
HBA
2
HBD
166.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.46 | 4.83 | 3500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3500.0 | nM | 5.46 | Antitrypanosomal against bloostream forms of Trypanosoma brucei gambiense FeoITM... | 27793448 |
| NON-PROTEIN TARGET | IC50 | = | 27000.0 | nM | 4.57 | Antileishmanial against of Leishmania donovani LV9 axenic amastigotes after 72 h... | 27793448 |
| NON-PROTEIN TARGET | IC50 | = | 34700.0 | nM | 4.46 | Antileishmanial against of Leishmania donovani LV9 intramacrophage amastigotes i... | 27793448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27793448 | 10.1016/j.bmc.2016.10.013 | NON-PROTEIN TARGET | 3 |
| 27793448 | 10.1016/j.bmc.2016.10.013 | Unchecked | 3 |
| 27793448 | 10.1016/j.bmc.2016.10.013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine