Compound Detail
CHEMBL2376276
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NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL2376276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWHGLWYFEVSFID-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.3
MW (Da)
4.97
ALogP
4
HBA
3
HBD
110.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL6185 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| Carbonic anhydrase CHEMBL5337 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.91 | 6.91 | 123.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | Ki | = | 5.8 | nM | 8.24 | Inhibition of recombinant full length Candida glabrata NCE103 expressed in Esche... | 23511020 |
| Carbonic anhydrase | Ki | = | 76.0 | nM | 7.12 | Inhibition of recombinant full length Candida albicans NCE103 expressed in Esche... | 23511020 |
| Unchecked | Ki | = | 123.0 | nM | 6.91 | Inhibition of Cryptococcus neoformans Can2 expressed in Candida albicans RH1 pre... | 23511020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23511020 | 10.1016/j.bmcl.2013.02.092 | Carbonic anhydrase | 2 |
| 23511020 | 10.1016/j.bmcl.2013.02.092 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine