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Compound Detail

CHEMBL403922

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Cc1ccc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403922
Phase Preclinical
Structure Type MOL
InChI Key GANMCBAUYLIAOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.56
ALogP
5
HBA
1
HBD
102.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O4S
MW 357.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.15

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