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

CHEMBL5397688

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
Cc1cc(Cc2cn(S(=O)(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c3ccccc23)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397688
Phase Preclinical
Structure Type MOL
InChI Key ACOUUHGFPHAQCN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.9
MW (Da)
5.35
ALogP
6
HBA
1
HBD
102.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClN2O5S
MW 470.93
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.01

Activity Summary

IC50 2 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
U-87 MG
CHEMBL614247
 IC50 5.45 5.45 3524.0 1
GL261
CHEMBL4483239
 IC50 4.8 4.8 15720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
U-87 MG IC50 = 3524.0 nM 5.45 Anti-proliferative activity against human U-87 MG cells assessed as cell viabili... 37861443
GL261 IC50 = 15720.0 nM 4.8 Anti-proliferative activity against mouse GL261 cells assessed as cell viability... 37861443

Literature References

PubMed DOI Target Context # Activities
37861443 10.1021/acs.jmedchem.3c01090 U-87 MG 1
37861443 10.1021/acs.jmedchem.3c01090 GL261 1

Data from ChEMBL 36 via Core Engine