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Compound Detail

CHEMBL4060365

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COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CCC2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060365
Phase Preclinical
Structure Type MOL
InChI Key ZNCXRNCIRXQPFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.36
ALogP
6
HBA
0
HBD
99.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O6S
MW 406.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
28285917 10.1016/j.bmcl.2017.02.073 Unchecked 1

Data from ChEMBL 36 via Core Engine