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

CHEMBL1334282

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(NC(=O)Nc2ccccc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1334282
Phase Preclinical
Structure Type MOL
InChI Key OWWHFDSAOSYTOX-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.12
ALogP
3
HBA
3
HBD
101.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12FN3O3S
MW 309.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.29

Activity Summary

Ki 8 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 12
CHEMBL3242
 Ki 8.14 8.14 7.3 2
Carbonic anhydrase 9
CHEMBL3594
 Ki 8.11 8.11 7.7 2
Carbonic anhydrase 2
CHEMBL205
 Ki 7.48 7.48 33.0 2
Carbonic anhydrase 1
CHEMBL261
 Ki 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 12 Ki = 7.3 nM 8.14 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins p... 28347633
Carbonic anhydrase 12 Ki = 7.3 nM 8.14 Inhibition Assay: CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES -
Carbonic anhydrase 9 Ki = 7.7 nM 8.11 Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins pr... 28347633
Carbonic anhydrase 9 Ki = 7.7 nM 8.11 Inhibition Assay: CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES -
Carbonic anhydrase 2 Ki = 33.0 nM 7.48 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins pr... 28347633
Carbonic anhydrase 2 Ki = 33.0 nM 7.48 Inhibition Assay: CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES -
Carbonic anhydrase 1 Ki = 550.0 nM 6.26 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins pr... 28347633
Carbonic anhydrase 1 Ki = 550.0 nM 6.26 Inhibition Assay: CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES -

Literature References

PubMed DOI Target Context # Activities
28347633 10.1016/j.bmc.2017.03.027 Carbonic anhydrase 9 1
28347633 10.1016/j.bmc.2017.03.027 Carbonic anhydrase 12 1
28347633 10.1016/j.bmc.2017.03.027 Carbonic anhydrase 2 1
28347633 10.1016/j.bmc.2017.03.027 Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine