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Compound Detail

CHEMBL3409833

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

Basic Information

ChEMBL ID CHEMBL3409833
Phase Preclinical
Structure Type MOL
InChI Key PBHONALRACEMJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
4.33
ALogP
7
HBA
2
HBD
133.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N5O4S2
MW 493.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.70

Literature References

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

Data from ChEMBL 36 via Core Engine