Compound Detail
CHEMBL3752880
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(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(N3CCC(N4CCOCC4)CC3)cc2[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL3752880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIEPYWWXHCJIJL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
1.77
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 4000.0 | nM | 5.4 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 incub... | 27025343 |
| Trypanosoma cruzi | IC50 | = | 5300.0 | nM | 5.28 | Trypanocidal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes after 5... | 26750255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27025343 | 10.1016/j.bmcl.2016.03.066 | Mycobacterium tuberculosis | 3 |
| 26750255 | 10.1016/j.bmcl.2015.12.070 | Trypanosoma cruzi | 2 |
Data from ChEMBL 36 via Core Engine