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Compound Detail

CHEMBL3793426

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CC(=O)c1c(C(F)(F)F)nc2cc(F)c(N3CCSCC3)cc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793426
Phase Preclinical
Structure Type MOL
InChI Key MRNOBVLLALVAIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.78
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13F4N3O2S
MW 375.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 1300.0 nM 5.89 Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 incub... 27025343

Literature References

PubMed DOI Target Context # Activities
27025343 10.1016/j.bmcl.2016.03.066 Mycobacterium tuberculosis 18
27025343 10.1016/j.bmcl.2016.03.066 J774 3
27025343 10.1016/j.bmcl.2016.03.066 Unchecked 3

Data from ChEMBL 36 via Core Engine