Compound Detail
CHEMBL23238
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Basic Information
| ChEMBL ID | CHEMBL23238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXGMACVQSZVIDO-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
0.81
ALogP
4
HBA
2
HBD
106.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.4 | 7.4 | 40.0 | 2 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.09 | 7.09 | 81.0 | 2 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 24.0 | nM | 7.62 | Inhibition of murine mitochondrial isozyme Carbonic anhydrase V at 20 degrees C | 14971907 |
| Carbonic anhydrase 2 | Ki | = | 40.0 | nM | 7.4 | Inhibition of human cytosolic isozyme Carbonic anhydrase II at 20 degree C | 14971907 |
| Carbonic anhydrase 2 | Ki | = | 40.0 | nM | 7.4 | Inhibitory activity against human Carbonic anhydrase II (hCA II) | 16168653 |
| Carbonic anhydrase 9 | Ki | = | 40.0 | nM | 7.4 | Inhibitory activity against human Carbonic anhydrase IX (hCA IX) | 16168653 |
| Carbonic anhydrase 4 | Ki | = | 64.0 | nM | 7.19 | Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from ... | 14971907 |
| Carbonic anhydrase 1 | Ki | = | 81.0 | nM | 7.09 | Inhibition of cloned human cytosolic isozyme Carbonic anhydrase I | 14971907 |
| Carbonic anhydrase 1 | Ki | = | 81.0 | nM | 7.09 | Inhibitory activity against human Carbonic anhydrase I (hCA I) | 16168653 |
| Carbonic anhydrase 12 | Ki | = | 83.0 | nM | 7.08 | Inhibitory activity against human Carbonic anhydrase XII (hCA XII) | 16168653 |
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 |
| 16168653 | 10.1016/j.bmcl.2005.08.048 | Carbonic anhydrase 1 | 1 |
| 16168653 | 10.1016/j.bmcl.2005.08.048 | Carbonic anhydrase 2 | 1 |
| 16168653 | 10.1016/j.bmcl.2005.08.048 | Carbonic anhydrase 9 | 1 |
| 16168653 | 10.1016/j.bmcl.2005.08.048 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine