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Compound Detail

CHEMBL417975

SEZOLAMIDE
🧪 Phase II
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🧪 Phase II
CC(C)CN[C@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417975
Name SEZOLAMIDE
Phase Phase II
Structure Type MOL
InChI Key JFLUCCKXAYBETQ-VIFPVBQESA-N

Known Names

Sezolamida Sezolamide
1
Targets
12
Activities
2
Assay Types
0
PK Parameters
12
Publications
2
Known Names

Molecular Properties

338.5
MW (Da)
0.86
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -zolamide
USAN Year 1990

Extended Properties

Molecular Formula C11H18N2O4S3
MW 338.48
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.02

Activity Summary

IC50 7 meas. best 9.27
Ki 5 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 2
CHEMBL205
 IC50 9.27 8.9714 0.5 7
Carbonic anhydrase 2
CHEMBL205
 Ki 9.22 9.198 0.6 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 2 IC50 = 0.54 nM 9.27 Inhibitory activity against carbonic anhydrase II 12166932
Carbonic anhydrase 2 IC50 = 0.54 nM 9.27 Tested for ability to inhibit human erythrocyte carbonic-anhydrase-II- (HCA II) ... 8295211
Carbonic anhydrase 2 IC50 = 0.54 nM 9.27 Compound was evaluated for the inhibitory activity against Human Carbonic anhydr... 8164249
Carbonic anhydrase 2 IC50 = 0.54 nM 9.27 50% inhibitory concentration against human carbonic anhydrase II (HCA II) after ... 2585439
Carbonic anhydrase 2 Ki = 0.6 nM 9.22 Tested for ability to compete with dansylamide for binding to human erythrocyte ... 8295211
Carbonic anhydrase 2 Ki = 0.61 nM 9.21 Compound was evaluated for the affinity towards Human Carbonic anhydrase II (HCA... 8164249
Carbonic anhydrase 2 Ki = 0.61 nM 9.21 The equilibrium dissociation constant of the inhibitor-enzyme complex of human c... 2585439
Carbonic anhydrase 2 Ki = 0.635 nM 9.2 Dissociation constant was reported against Carbonic anhydrase II 12166932
Carbonic anhydrase 2 Ki = 0.7 nM 9.15 Tested for ability to compete with dansylamide for binding to human erythrocyte ... 8295211
Carbonic anhydrase 2 IC50 = 1.2 nM 8.92 Tested for ability to inhibit human erythrocyte carbonic-anhydrase-II- (HCA II) ... 8295211
Carbonic anhydrase 2 IC50 = 4.0 nM 8.4 Activity against human carbonic anhydrase II 8201598
Carbonic anhydrase 2 IC50 = 4.0 nM 8.4 50% inhibitory concentration against human carbonic anhydrase II (HCA II) after ... 2585439

Literature References

PubMed DOI Target Context # Activities
8295211 10.1021/jm00028a006 Carbonic anhydrase 2 10
8295211 10.1021/jm00028a006 Oryctolagus cuniculus 4
2585439 10.1021/jm00132a003 Carbonic anhydrase 2 4
12166932 10.1021/jm011112j Carbonic anhydrase 2 2
8295211 10.1021/jm00028a006 No relevant target 2
8164249 10.1021/jm00034a001 Carbonic anhydrase 2 2
8201598 10.1021/jm00037a015 Carbonic anhydrase 2 2
12166932 10.1021/jm011112j No relevant target 1
8201598 10.1021/jm00037a015 Unchecked 1
2585439 10.1021/jm00132a003 Vasopressin receptor 1
2585439 10.1021/jm00132a003 Oryctolagus cuniculus 1
2585439 10.1021/jm00132a003 No relevant target 1

Data from ChEMBL 36 via Core Engine