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

CHEMBL4095832

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
Cc1nc(-c2ccc(F)cc2)oc1-c1csc(Cc2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4095832
Phase Preclinical
Structure Type MOL
InChI Key UXJRXFCCMWSUBU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
5.64
ALogP
4
HBA
0
HBD
38.9
PSA (Ų)
0.47
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 C20H14F2N2OS
MW 368.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.32

Activity Summary

IC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 6.75 6.735 180.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 180.0 nM 6.75 Antitubercular activity against Mycobacterium tuberculosis H37Ra ATCC 25177 dorm... 28411559
Mycobacterium tuberculosis IC50 = 190.0 nM 6.72 Antitubercular activity against Mycobacterium bovis BCG ATCC 35743 dormant stage... 28411559

Literature References

PubMed DOI Target Context # Activities
28411559 10.1016/j.ejmech.2017.03.065 Mycobacterium tuberculosis 10
28411559 10.1016/j.ejmech.2017.03.065 Unchecked 6
28411559 10.1016/j.ejmech.2017.03.065 Escherichia coli 4
28411559 10.1016/j.ejmech.2017.03.065 Pseudomonas fluorescens 4
28411559 10.1016/j.ejmech.2017.03.065 Staphylococcus aureus 4
28411559 10.1016/j.ejmech.2017.03.065 Bacillus subtilis 4
28411559 10.1016/j.ejmech.2017.03.065 HeLa 2
28411559 10.1016/j.ejmech.2017.03.065 A549 2
28411559 10.1016/j.ejmech.2017.03.065 PANC-1 2

Data from ChEMBL 36 via Core Engine