Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4466152

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
Cc1cn2cc([N+](=O)[O-])nc2c(=O)n1Cc1ccc(OC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466152
Phase Preclinical
Structure Type MOL
InChI Key GKEONZHOVLVFMF-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

368.3
MW (Da)
2.66
ALogP
7
HBA
0
HBD
91.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11F3N4O4
MW 368.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.61

Activity Summary

IC50 4 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 IC50 6.39 5.895 410.0 2
Giardia intestinalis
CHEMBL612652
 IC50 5.24 5.22 5800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei IC50 = 410.0 nM 6.39 Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... 30468386
Trypanosoma brucei brucei IC50 = 3981.07 nM 5.4 Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... 30468386
Giardia intestinalis IC50 = 5800.0 nM 5.24 Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... 30468386
Giardia intestinalis IC50 = 6309.57 nM 5.2 Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... 30468386

Literature References

PubMed DOI Target Context # Activities
30468386 10.1021/acs.jmedchem.8b01578 ADMET 5
36111399 10.1021/acs.jmedchem.2c00972 Mycobacterium tuberculosis 3
36111399 10.1021/acs.jmedchem.2c00972 Unchecked 3
30468386 10.1021/acs.jmedchem.8b01578 Giardia intestinalis 2
30468386 10.1021/acs.jmedchem.8b01578 Entamoeba histolytica 2
30468386 10.1021/acs.jmedchem.8b01578 Mycobacterium tuberculosis 2
30468386 10.1021/acs.jmedchem.8b01578 Trypanosoma brucei brucei 2
- 10.6019/CHEMBL4513134 HEK293 1
36111399 10.1021/acs.jmedchem.2c00972 Mycobacterium avium 1
36111399 10.1021/acs.jmedchem.2c00972 Mycolicibacterium smegmatis 1

Data from ChEMBL 36 via Core Engine