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Compound Detail

CHEMBL150871

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O=C(OCc1ccccc1)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150871
Phase Preclinical
Structure Type MOL
InChI Key YJLFRTUJUFTFAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.8
MW (Da)
3.64
ALogP
7
HBA
0
HBD
108.5
PSA (Ų)
0.34
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 C18H13ClN2O6S
MW 420.83
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.45

Literature References

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

Data from ChEMBL 36 via Core Engine