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

CHEMBL3605078

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
CCc1sc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)nc1-c1cc(Cl)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3605078
Phase Preclinical
Structure Type MOL
InChI Key XTOVMRQIXWGZCN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
5.65
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20Cl2N2O3S2
MW 483.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.13

Activity Summary

IC50 2 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor ROR-gamma
CHEMBL1741186
 IC50 5.9 5.75 1258.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nuclear receptor ROR-gamma IC50 = 1258.93 nM 5.9 Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed ... 26277758
Nuclear receptor ROR-gamma IC50 = 2511.89 nM 5.6 Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed ... 26277758

Literature References

PubMed DOI Target Context # Activities
26277758 10.1016/j.bmc.2015.07.068 Nuclear receptor ROR-gamma 4

Data from ChEMBL 36 via Core Engine