Compound Detail
CHEMBL23377
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Basic Information
| ChEMBL ID | CHEMBL23377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXQNFGSNONKCOR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
0.81
ALogP
5
HBA
3
HBD
135.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.99 | 6.99 | 103.0 | 1 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.73 | 6.73 | 187.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 75.0 | nM | 7.12 | Inhibition of human cytosolic isozyme Carbonic anhydrase II at 20 degree C | 14971907 |
| Unchecked | Ki | = | 103.0 | nM | 6.99 | Inhibition of murine mitochondrial isozyme Carbonic anhydrase V at 20 degrees C | 14971907 |
| Carbonic anhydrase 4 | Ki | = | 119.0 | nM | 6.92 | Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from ... | 14971907 |
| Carbonic anhydrase 1 | Ki | = | 187.0 | nM | 6.73 | Inhibition of cloned human cytosolic isozyme Carbonic anhydrase I | 14971907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971907 | 10.1021/jm031057+ | Unchecked | 2 |
| 14971907 | 10.1021/jm031057+ | Carbonic anhydrase 1 | 1 |
| 14971907 | 10.1021/jm031057+ | Carbonic anhydrase 2 | 1 |
| 14971907 | 10.1021/jm031057+ | Carbonic anhydrase 4 | 1 |
Data from ChEMBL 36 via Core Engine