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

CHEMBL5290341

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(c1cnccc1SC1(C(=O)O)CCC1)N1CCc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL5290341
Phase Preclinical
Structure Type MOL
InChI Key LUIHOSSBIVHWNQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.38
ALogP
4
HBA
1
HBD
70.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O3S
MW 368.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.92 4.92 12070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36219903 10.1016/j.ejmech.2022.114816 Mus musculus 2
36219903 10.1016/j.ejmech.2022.114816 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine