Compound Detail
CHEMBL2079226
ISOSELENOCYANATE 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
Basic Information
| ChEMBL ID | CHEMBL2079226 |
| Name | ISOSELENOCYANATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BITXABIVVURDNX-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
106.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.16 | 4.16 | 70000.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.07 | 4.07 | 86000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 8500.0 | nM | 5.07 | Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flo... | 26853167 |
| Unchecked | Ki | = | 70000.0 | nM | 4.16 | Inhibition of Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase pre... | 23078755 |
| Carbonic anhydrase 2 | Ki | = | 86000.0 | nM | 4.07 | Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrati... | 23078755 |
| Carbonic anhydrase 2 | Ki | = | 86000.0 | nM | 4.07 | Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flo... | 26853167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23078755 | 10.1016/j.bmc.2012.09.047 | Unchecked | 3 |
| 26853167 | 10.1016/j.bmcl.2016.01.072 | Unchecked | 2 |
| 23078755 | 10.1016/j.bmc.2012.09.047 | Carbonic anhydrase 2 | 1 |
| 26853167 | 10.1016/j.bmcl.2016.01.072 | Carbonic anhydrase 2 | 1 |
| 26853167 | 10.1016/j.bmcl.2016.01.072 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine