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

CHEMBL3596572

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
NC(=S)c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3596572
Phase Preclinical
Structure Type MOL
InChI Key GVEVKAIAOIRIAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
1.02
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7NO2S
MW 181.22
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
35016113 10.1016/j.ejmech.2021.114091 Mus musculus 6
25431645 10.1039/c4md00180j SH-SY5Y 3
35016113 10.1016/j.ejmech.2021.114091 Unchecked 3
25431645 10.1039/c4md00180j Unchecked 1
35016113 10.1016/j.ejmech.2021.114091 Sigma intracellular receptor 2 1
35016113 10.1016/j.ejmech.2021.114091 Sigma non-opioid intracellular receptor 1 1
35016113 10.1016/j.ejmech.2021.114091 Mu-type opioid receptor 1
35016113 10.1016/j.ejmech.2021.114091 Delta-type opioid receptor 1
35016113 10.1016/j.ejmech.2021.114091 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine