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Compound Detail

CHEMBL170666

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FC(F)(F)c1ccc(Cl)c(N=NNc2cc(C(F)(F)F)ccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170666
Phase Preclinical
Structure Type MOL
InChI Key XMDFHLSKXPCBAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
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 -1.23

Activity Summary

IC50 1 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 4.01 4.01 97480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 97480.0 nM 4.01 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days... 24631899

Literature References

PubMed DOI Target Context # Activities
24631899 10.1016/j.ejmech.2014.02.065 Mycobacterium tuberculosis 3
6854589 10.1021/jm00360a015 Rattus norvegicus 2
24631899 10.1016/j.ejmech.2014.02.065 ADMET 1
24631899 10.1016/j.ejmech.2014.02.065 Unchecked 1

Data from ChEMBL 36 via Core Engine