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Compound Detail

CHEMBL3793237

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Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])s2)[n+]([O-])c2ccccc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793237
Phase Preclinical
Structure Type MOL
InChI Key CJFVVJABQSVOEK-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.28
ALogP
6
HBA
0
HBD
114.1
PSA (Ų)
0.18
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O5S
MW 357.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
27025343 10.1016/j.bmcl.2016.03.066 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine