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

CHEMBL1340834

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(O)c1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)c1

Basic Information

ChEMBL ID CHEMBL1340834
Phase Preclinical
Structure Type MOL
InChI Key WFLQWQMYORDWLX-WQRHYEAKSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.0
MW (Da)
6.33
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14ClNO4S3
MW 488.01
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.90

Activity Summary

IC50 3 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SUMO-activating enzyme
CHEMBL2095174
IC50 5.86 5.35 1390.0 2
G-protein coupled receptor 55
CHEMBL1075322
IC50 5.35 5.35 4430.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine