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

CHEMBL1834164

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
Cc1ccccc1CSc1ccc(-c2ccccn2)nn1

Basic Information

ChEMBL ID CHEMBL1834164
Phase Preclinical
Structure Type MOL
InChI Key DUUQLWDHNYFUPP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
4.14
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3S
MW 293.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.77

Activity Summary

EC50 3 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Astrocyte
CHEMBL614871
EC50 5.75 5.665 1800.0 2
Excitatory amino acid transporter 2
CHEMBL4973
EC50 5.74 5.74 1830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21875806 10.1016/j.bmcl.2011.08.009 Astrocyte 8
28525717 10.1021/acs.jmedchem.7b00383 Rattus norvegicus 8
36262387 10.1021/acsmedchemlett.2c00304 Excitatory amino acid transporter 2 1

Data from ChEMBL 36 via Core Engine