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Compound Detail

CHEMBL3115593

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O=[N+]([O-])c1ccc2nc3c(c(-c4ccccc4)c2c1)Cc1ccccc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115593
Phase Preclinical
Structure Type MOL
InChI Key FSSPKDDRRTVVPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
5.38
ALogP
3
HBA
0
HBD
56.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14N2O2
MW 338.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
24412719 10.1016/j.ejmech.2013.12.013 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine