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

CHEMBL433687

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(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433687
Phase Preclinical
Structure Type MOL
InChI Key GIGWARWXUBVFOT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

491.3
MW (Da)
7.51
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15Cl2F3N4O
MW 491.30
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.02

Activity Summary

IC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 IC50 7.09 7.09 81.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus IC50 = 81.0 nM 7.09 Concentration that inhibits 50% growth of methicillin resistant Staphylococcus a... 14643347

Literature References

PubMed DOI Target Context # Activities
14643347 10.1016/j.bmcl.2003.09.013 Staphylococcus aureus 2
14643347 10.1016/j.bmcl.2003.09.013 Mus musculus 2
14643347 10.1016/j.bmcl.2003.09.013 No relevant target 1

Data from ChEMBL 36 via Core Engine