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

CHEMBL179202

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
O=C(CCCCCCS(=O)(=O)NO)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179202
Phase Preclinical
Structure Type MOL
InChI Key LMGBPBNQQJAYDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
1.88
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N2O4S
MW 300.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
15715470 10.1021/jm049207j Histone deacetylase 2

Data from ChEMBL 36 via Core Engine