Compound Detail
CHEMBL3818769
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
O=C(CC12CC3CC(C1)CC(C1CCCC1)(C3)C2)N/N=C/c1ccc([N+](=O)[O-])o1
Basic Information
| ChEMBL ID | CHEMBL3818769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WASSTDLFCYIBGD-YDZHTSKRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.80
ALogP
5
HBA
1
HBD
97.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.75 | 6.75 | 178.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.51 | 6.51 | 306.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.06 | 5.06 | 8790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 178.0 | nM | 6.75 | Trypanocidal activity against epimastigote form of Trypanosoma cruzi CL Brener a... | - |
| Trypanosoma brucei | IC50 | = | 306.0 | nM | 6.51 | Trypanocidal activity against bloodstream form of Trypanosoma brucei 427 assesse... | - |
| L6 | IC50 | = | 8790.0 | nM | 5.06 | Cytotoxicity against rat L6 cells after 6 days by Alamar blue assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00035E | Trypanosoma brucei | 2 |
| - | 10.1039/C6MD00035E | Unchecked | 2 |
| - | 10.1039/C6MD00035E | Trypanosoma cruzi | 2 |
| - | 10.1039/C6MD00035E | L6 | 1 |
Data from ChEMBL 36 via Core Engine