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Compound Detail

CHEMBL3792754

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Cc1c(C(=O)/C=C/c2ccccc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3792754
Phase Preclinical
Structure Type MOL
InChI Key QEESUAGQYJHVLL-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

340.8
MW (Da)
2.96
ALogP
3
HBA
0
HBD
71.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN2O3
MW 340.77
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 1500.0 nM 5.82 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 17
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