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Compound Detail

CHEMBL3937858

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COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2ccc([N+](=O)[O-])cc2n3C)c(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3937858
Phase Preclinical
Structure Type MOL
InChI Key QOSWSXKRFRSJGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
3.45
ALogP
8
HBA
1
HBD
125.6
PSA (Ų)
0.36
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 C20H18N4O6S
MW 442.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
27919655 10.1016/j.bmcl.2016.11.068 No relevant target 2
27919655 10.1016/j.bmcl.2016.11.068 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine