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

CHEMBL1094899

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
Cc1ccc(S(=O)(=O)C2=C(S(=O)(=O)c3ccc(C)cc3)C(=O)c3ncccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094899
Phase Preclinical
Structure Type MOL
InChI Key CBQHVYRDTZEQLT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.24
ALogP
7
HBA
0
HBD
115.3
PSA (Ų)
0.58
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 C23H17NO6S2
MW 467.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.44

Activity Summary

IC50 2 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 4.39 4.39 40500.0 1
HL-60
CHEMBL383
 IC50 4.21 4.21 61600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 40500.0 nM 4.39 Antiproliferative activity against human T cells after 48 hrs by MTT assay 20363637
HL-60 IC50 = 61600.0 nM 4.21 Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay 20363637

Literature References

PubMed DOI Target Context # Activities
20363637 10.1016/j.bmc.2010.03.021 HL-60 1
20363637 10.1016/j.bmc.2010.03.021 ADMET 1
20363637 10.1016/j.bmc.2010.03.021 NON-PROTEIN TARGET 1
20363637 10.1016/j.bmc.2010.03.021 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine