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Compound Detail

CHEMBL271256

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Br.CS(=O)(=O)SCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271256
Phase Preclinical
Structure Type MOL
InChI Key DMVGEUBCWCKGMY-UHFFFAOYSA-N
Parent Compound CHEMBL256738
Active Moiety CHEMBL256738
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

155.2
MW (Da)
-0.36
ALogP
4
HBA
1
HBD
60.2
PSA (Ų)
0.57
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 C3H10BrNO2S2
MW 236.16
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness -0.67

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18294844 10.1016/j.bmcl.2008.02.007 Histone deacetylase 2
18294844 10.1016/j.bmcl.2008.02.007 A549 1
16998480 10.1038/nchembio821 Short transient receptor potential channel 5 1

Data from ChEMBL 36 via Core Engine