Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL353014

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353014
Phase Preclinical
Structure Type MOL
InChI Key USHDVMMVLFKCNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.39
ALogP
8
HBA
0
HBD
114.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO8S
MW 369.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
11294380 10.1016/s0960-894x(01)00098-1 HCT-15 1
11294380 10.1016/s0960-894x(01)00098-1 NCI-H460 1

Data from ChEMBL 36 via Core Engine