Compound Detail
CHEMBL140306
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)c1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL140306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVJTWYJZBRSCTJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.5
MW (Da)
1.93
ALogP
8
HBA
3
HBD
161.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 8.0 | nM | 8.1 | Inhibition of human recombinant carbonic anhydrase II (CA2) | 11087579 |
| Carbonic anhydrase 4 | Ki | = | 32.0 | nM | 7.5 | Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes | 11087579 |
| Carbonic anhydrase 1 | Ki | = | 1500.0 | nM | 5.82 | Inhibition of human recombinant carbonic anhydrase I (CA1) | 11087579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087579 | 10.1021/jm000296j | Carbonic anhydrase 1 | 1 |
| 11087579 | 10.1021/jm000296j | Carbonic anhydrase 2 | 1 |
| 11087579 | 10.1021/jm000296j | Carbonic anhydrase 4 | 1 |
Data from ChEMBL 36 via Core Engine