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Compound Detail

CHEMBL1807074

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FC(F)(F)c1cc(Cl)ccc1/N=N/Nc1ccc(Cl)cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807074
Phase Preclinical
Structure Type MOL
InChI Key PHXINARWTCRZKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

402.1
MW (Da)
7.14
ALogP
2
HBA
1
HBD
36.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7Cl2F6N3
MW 402.12
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 4.03 4.03 92960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 92960.0 nM 4.03 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days... 24631899

Literature References

PubMed DOI Target Context # Activities
28063354 10.1016/j.ejmech.2016.12.060 Staphylococcus aureus 5
28063354 10.1016/j.ejmech.2016.12.060 Escherichia coli 4
28063354 10.1016/j.ejmech.2016.12.060 No relevant target 4
24631899 10.1016/j.ejmech.2014.02.065 Mycobacterium tuberculosis 3
28063354 10.1016/j.ejmech.2016.12.060 Mycolicibacterium smegmatis 2
28063354 10.1016/j.ejmech.2016.12.060 Streptococcus pneumoniae 2
28063354 10.1016/j.ejmech.2016.12.060 Bacillus subtilis 2
28063354 10.1016/j.ejmech.2016.12.060 Enterococcus faecalis 2
28063354 10.1016/j.ejmech.2016.12.060 Klebsiella pneumoniae 2
28063354 10.1016/j.ejmech.2016.12.060 Acinetobacter baumannii 2
21550697 10.1016/j.ejmech.2011.04.024 No relevant target 1
21550697 10.1016/j.ejmech.2011.04.024 HeLa 1
24631899 10.1016/j.ejmech.2014.02.065 ADMET 1
24631899 10.1016/j.ejmech.2014.02.065 Unchecked 1
28063354 10.1016/j.ejmech.2016.12.060 Saccharomyces cerevisiae 1
28063354 10.1016/j.ejmech.2016.12.060 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine