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

CHEMBL3310828

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
COc1cc2[nH]c(=O)n(C)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310828
Phase Preclinical
Structure Type MOL
InChI Key GSOJBSUDYOOTBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
2.98
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.70
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 C15H13Cl2N3O4S
MW 402.26
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 4
CHEMBL2414
 IC50 4.7 4.7 19952.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 4 IC50 = 19952.62 nM 4.7 Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPga... 24909677

Literature References

PubMed DOI Target Context # Activities
24909677 10.1016/j.bmc.2014.05.021 C-C chemokine receptor type 4 2
24909677 10.1016/j.bmc.2014.05.021 No relevant target 2

Data from ChEMBL 36 via Core Engine