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Compound Detail

CHEMBL151735

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CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151735
Phase Preclinical
Structure Type MOL
InChI Key ATXFAQDJODCEAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.2
MW (Da)
3.12
ALogP
7
HBA
0
HBD
108.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10Cl2N2O6S
MW 393.20
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
8558522 10.1021/jm950568w MT4 2

Data from ChEMBL 36 via Core Engine