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

CHEMBL3753982

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
CCCNC(=S)SC[C@H](NC(C)=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3753982
Phase Preclinical
Structure Type MOL
InChI Key OEVCLOHNWQLOKH-ZETCQYMHSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
0.59
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.61
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 C9H16N2O3S2
MW 264.37
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.43

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
26639764 10.1016/j.bmcl.2015.11.045 LoVo 1
26639764 10.1016/j.bmcl.2015.11.045 NON-PROTEIN TARGET 1
26639764 10.1016/j.bmcl.2015.11.045 Histone deacetylase 1
26639764 10.1016/j.bmcl.2015.11.045 BALB/3T3 1

Data from ChEMBL 36 via Core Engine