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Compound Detail

CHEMBL3409830

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Cc1ccc(S(=O)(=O)Nc2ccc(C(/C=C/c3ccc([N+](=O)[O-])cc3)=N\O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409830
Phase Preclinical
Structure Type MOL
InChI Key AXZAIGLHRJHWTF-LVBPOWAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.60
ALogP
6
HBA
2
HBD
121.9
PSA (Ų)
0.24
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O5S
MW 437.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
25618015 10.1016/j.ejmech.2015.01.036 HepG2 5

Data from ChEMBL 36 via Core Engine