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

CHEMBL23922

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
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23922
Phase Preclinical
Structure Type MOL
InChI Key USGGSIVMQBZIHX-UHFFFAOYSA-N
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
1.27
ALogP
4
HBA
2
HBD
106.3
PSA (Ų)
0.88
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 C12H11FN2O4S2
MW 330.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.88

Activity Summary

Ki 5 meas. best 8.05
IC50 3 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 2
CHEMBL205
 Ki 8.05 8.05 9.0 1
Carbonic anhydrase 4
CHEMBL281
 Ki 7.82 7.82 15.0 1
Unchecked
CHEMBL612545
 Ki 7.7 7.7 20.0 1
Carbonic anhydrase 1
CHEMBL261
 Ki 7.4 7.4 40.0 1
Carbonic anhydrase 2
CHEMBL2283
 IC50 7.0 7.0 100.0 1
Intestinal-type alkaline phosphatase
CHEMBL5695
 IC50 5.95 5.95 1130.0 1
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL2406894
 Ki 5.86 5.86 1390.0 1
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL2406894
 IC50 5.49 5.49 3260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 2 Ki = 9.0 nM 8.05 Inhibition of human cytosolic isozyme Carbonic anhydrase II at 20 degree C 14971907
Carbonic anhydrase 4 Ki = 15.0 nM 7.82 Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from ... 14971907
Unchecked Ki = 20.0 nM 7.7 Inhibition of murine mitochondrial isozyme Carbonic anhydrase V at 20 degrees C 14971907
Carbonic anhydrase 1 Ki = 40.0 nM 7.4 Inhibition of cloned human cytosolic isozyme Carbonic anhydrase I 14971907
Carbonic anhydrase 2 IC50 = 100.0 nM 7.0 Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitropheny... 25865133
Intestinal-type alkaline phosphatase IC50 = 1130.0 nM 5.95 Inhibition of calf intestinal alkaline phosphatase using CDP-star chemiluminesce... 25865133
Alkaline phosphatase, tissue-nonspecific isozyme Ki = 1390.0 nM 5.86 Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star che... 25865133
Alkaline phosphatase, tissue-nonspecific isozyme IC50 = 3260.0 nM 5.49 Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star che... 25865133

Literature References

PubMed DOI Target Context # Activities
14971907 10.1021/jm031057+ Unchecked 2
25865133 10.1016/j.bmc.2015.03.054 Alkaline phosphatase, tissue-nonspecific isozyme 2
14971907 10.1021/jm031057+ Carbonic anhydrase 1 1
14971907 10.1021/jm031057+ Carbonic anhydrase 2 1
14971907 10.1021/jm031057+ Carbonic anhydrase 4 1
25865133 10.1016/j.bmc.2015.03.054 Intestinal-type alkaline phosphatase 1
25865133 10.1016/j.bmc.2015.03.054 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine