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

CHEMBL479753

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
CS(=O)(=O)c1ccc([C@H](CC2CCOCC2)C(=O)Nc2nccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL479753
Phase Preclinical
Structure Type MOL
InChI Key HMJAUNHXYJKDGD-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
3.09
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.81
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 C18H22N2O4S2
MW 394.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
18588279 10.1021/jm8003202 Hexokinase-4 1

Data from ChEMBL 36 via Core Engine