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

CHEMBL4161665

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(C[Se]c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161665
Phase Preclinical
Structure Type MOL
InChI Key IZFQLLOHBXEILG-UHFFFAOYSA-N
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO2SSe
MW 326.28

Activity Summary

Ki 10 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 9
CHEMBL3594
 Ki 8.57 8.57 2.7 2
Carbonic anhydrase 5A, mitochondrial
CHEMBL4789
 Ki 8.27 8.27 5.4 1
Carbonic anhydrase 7
CHEMBL2326
 Ki 8.18 8.18 6.6 2
Carbonic anhydrase 5B, mitochondrial
CHEMBL3969
 Ki 7.72 7.72 19.1 1
Carbonic anhydrase 2
CHEMBL205
 Ki 7.28 7.28 53.0 2
Carbonic anhydrase 1
CHEMBL261
 Ki 6.65 6.65 226.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 9 Ki = 2.7 nM 8.57 Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon di... 29795760
Carbonic anhydrase 9 Ki = 2.7 nM 8.57 Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing ... 29803994
Carbonic anhydrase 5A, mitochondrial Ki = 5.4 nM 8.27 Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon d... 29795760
Carbonic anhydrase 7 Ki = 6.6 nM 8.18 Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon di... 29795760
Carbonic anhydrase 7 Ki = 6.6 nM 8.18 Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing ... 29803994
Carbonic anhydrase 5B, mitochondrial Ki = 19.1 nM 7.72 Inhibition of human carbonic anhydrase 5B after 15 mins by stopped flow carbon d... 29795760
Carbonic anhydrase 2 Ki = 53.0 nM 7.28 Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon di... 29795760
Carbonic anhydrase 2 Ki = 53.0 nM 7.28 Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing ... 29803994
Carbonic anhydrase 1 Ki = 226.1 nM 6.65 Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow carbon di... 29795760
Carbonic anhydrase 1 Ki = 226.1 nM 6.65 Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing ... 29803994

Literature References

PubMed DOI Target Context # Activities
29795760 10.1021/acsmedchemlett.8b00076 Carbonic anhydrase 5B, mitochondrial 1
29795760 10.1021/acsmedchemlett.8b00076 Carbonic anhydrase 5A, mitochondrial 1
29795760 10.1021/acsmedchemlett.8b00076 Carbonic anhydrase 2 1
29795760 10.1021/acsmedchemlett.8b00076 Carbonic anhydrase 1 1
29795760 10.1021/acsmedchemlett.8b00076 Carbonic anhydrase 9 1
29795760 10.1021/acsmedchemlett.8b00076 Carbonic anhydrase 7 1
29803994 10.1016/j.ejmech.2018.05.026 Carbonic anhydrase 1 1
29803994 10.1016/j.ejmech.2018.05.026 Carbonic anhydrase 2 1
29803994 10.1016/j.ejmech.2018.05.026 Carbonic anhydrase 7 1
29803994 10.1016/j.ejmech.2018.05.026 Carbonic anhydrase 9 1
29803994 10.1016/j.ejmech.2018.05.026 Mus musculus 1

Data from ChEMBL 36 via Core Engine