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

CHEMBL3093002

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
NS(=O)(=O)NC[C@H]1COc2c(Cl)cccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093002
Phase Preclinical
Structure Type MOL
InChI Key DBADWNBGIOITGM-LURJTMIESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.7
MW (Da)
0.27
ALogP
4
HBA
2
HBD
90.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11ClN2O4S
MW 278.72
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.93

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24205976 10.1021/jm400894u Mus musculus 2
24205976 10.1021/jm400894u Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine