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Compound Detail

CHEMBL3409832

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Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)n3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409832
Phase Preclinical
Structure Type MOL
InChI Key VVSBSAWXTGCPGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
6.22
ALogP
6
HBA
1
HBD
107.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22N4O4S
MW 510.58
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.71

Literature References

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

Data from ChEMBL 36 via Core Engine