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

CHEMBL194868

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
Nc1ccc(SSCCNC(=O)/C(Cc2cccc(Br)c2)=N/O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194868
Phase Preclinical
Structure Type MOL
InChI Key LQAPVRIUQJMQLD-LTGZKZEYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
3.96
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.14
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18BrN3O2S2
MW 440.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.10

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
16134928 10.1021/jm050524f Mycothiol S-conjugate amidase 2
16134928 10.1021/jm050524f Bacteria 2

Data from ChEMBL 36 via Core Engine