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

CHEMBL1446150

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)Nc2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1446150
Phase Preclinical
Structure Type MOL
InChI Key HACQCGHVZICZSC-UHFFFAOYSA-N
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

325.8
MW (Da)
2.63
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 C13H12ClN3O3S
MW 325.78
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.71

Activity Summary

Ki 10 meas. best 8.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-carbonic anhydrase 1
CHEMBL5631
 Ki 8.32 8.32 4.8 1
Carbonic anhydrase 12
CHEMBL3242
 Ki 8.28 8.28 5.3 1
Carbonic anhydrase
CHEMBL6185
 Ki 8.15 8.15 7.0 1
Unchecked
CHEMBL612545
 Ki 7.76 7.485 17.3 2
Carbonic anhydrase 9
CHEMBL3594
 Ki 7.24 7.24 58.0 1
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)
CHEMBL5767
 Ki 7.2 7.2 63.1 1
Carbonic anhydrase 2
CHEMBL205
 Ki 6.11 6.11 781.0 2
Carbonic anhydrase 1
CHEMBL261
 Ki 5.67 5.67 2150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-carbonic anhydrase 1 Ki = 4.8 nM 8.32 Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1... 21145236
Carbonic anhydrase 12 Ki = 5.3 nM 8.28 Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 m... 21361354
Carbonic anhydrase Ki = 7.0 nM 8.15 Inhibition of recombinant full length Candida glabrata NCE103 expressed in Esche... 23511020
Unchecked Ki = 17.3 nM 7.76 Inhibition of Cryptococcus neoformans Can2 expressed in Candida albicans RH1 pre... 23511020
Carbonic anhydrase 9 Ki = 58.0 nM 7.24 Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 mi... 21361354
Unchecked Ki = 62.0 nM 7.21 Inhibition of Candida albicans recombinant beta-carbonic anhydrase preincubated ... 21145236
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Ki = 63.1 nM 7.2 Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3... 21145236
Carbonic anhydrase 2 Ki = 781.0 nM 6.11 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by... 21145236
Carbonic anhydrase 2 Ki = 781.0 nM 6.11 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO... 21361354
Carbonic anhydrase 1 Ki = 2150.0 nM 5.67 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO... 21361354

Literature References

PubMed DOI Target Context # Activities
21145236 10.1016/j.bmcl.2010.11.064 Unchecked 4
23511020 10.1016/j.bmcl.2013.02.092 Unchecked 2
21145236 10.1016/j.bmcl.2010.11.064 Carbonic anhydrase 2 1
21145236 10.1016/j.bmcl.2010.11.064 Beta-carbonic anhydrase 1 1
21145236 10.1016/j.bmcl.2010.11.064 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 1
21361354 10.1021/jm101541x Carbonic anhydrase 1 1
21361354 10.1021/jm101541x Carbonic anhydrase 2 1
21361354 10.1021/jm101541x Carbonic anhydrase 9 1
21361354 10.1021/jm101541x Carbonic anhydrase 12 1
23511020 10.1016/j.bmcl.2013.02.092 Carbonic anhydrase 1

Data from ChEMBL 36 via Core Engine