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Compound Detail

CHEMBL256243

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COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2nc(C)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256243
Phase Preclinical
Structure Type MOL
InChI Key MAMCLHLVWFBEGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.57
ALogP
6
HBA
1
HBD
111.4
PSA (Ų)
0.53
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 C18H17N3O5S
MW 387.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
18024113 10.1016/j.bmcl.2007.10.100 NF-kappa-B inhibitor alpha 2
18024113 10.1016/j.bmcl.2007.10.100 Transcription factor p65 2
18024113 10.1016/j.bmcl.2007.10.100 Unchecked 1
18024113 10.1016/j.bmcl.2007.10.100 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine