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

CHEMBL5286838

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
C#Cc1cc(Oc2cccnc2)cc(N2Cc3ccccc3S2(=O)=O)c1

Basic Information

ChEMBL ID CHEMBL5286838
Phase Preclinical
Structure Type MOL
InChI Key XIOGALHZYZVCEI-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.56
ALogP
4
HBA
0
HBD
59.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14N2O3S
MW 362.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.41

Activity Summary

EC50 3 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 4
CHEMBL5339
EC50 8.28 7.4733 5.3 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33843223 10.1021/acs.jmedchem.0c01002 Free fatty acid receptor 4 3

Data from ChEMBL 36 via Core Engine