Compound Detail
CHEMBL4746021
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Basic Information
| ChEMBL ID | CHEMBL4746021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZMNUTMZVYMDLE-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.16 | 7.16 | 69.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.05 | 7.05 | 89.0 | 2 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.39 | 5.6033 | 410.0 | 3 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.38 | 6.38 | 414.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 69.0 | nM | 7.16 | Binding affinity to human CA12 assessed as inhibition constant | 34875836 |
| Carbonic anhydrase 2 | Ki | = | 89.0 | nM | 7.05 | Inhibition of human carbonic anhydrase 2 incubated for 30 mins prior to testing ... | 33214840 |
| Carbonic anhydrase 2 | Ki | = | 89.0 | nM | 7.05 | Binding affinity to human CA2 assessed as inhibition constant | 34875836 |
| Carbonic anhydrase 1 | Ki | = | 98.0 | nM | 7.01 | Binding affinity to human CA1 assessed as inhibition constant | 34875836 |
| Unchecked | Ki | = | 410.0 | nM | 6.39 | Inhibition of Vibrio cholerae gamma carbonic anhydrase incubated for 30 mins pri... | 33214840 |
| Carbonic anhydrase 9 | Ki | = | 414.0 | nM | 6.38 | Binding affinity to human CA9 assessed as inhibition constant | 34875836 |
| Unchecked | Ki | = | 556.0 | nM | 6.25 | Inhibition of Vibrio cholerae alpha carbonic anhydrase incubated for 30 mins pri... | 33214840 |
| Unchecked | Ki | = | 67286.0 | nM | 4.17 | Inhibition of Vibrio cholerae beta carbonic anhydrase incubated for 30 mins prio... | 33214840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214840 | 10.1021/acsmedchemlett.0c00403 | Unchecked | 6 |
| 33214840 | 10.1021/acsmedchemlett.0c00403 | Carbonic anhydrase 2 | 1 |
| 34875836 | 10.1021/acs.jmedchem.1c01691 | Carbonic anhydrase 1 | 1 |
| 34875836 | 10.1021/acs.jmedchem.1c01691 | Carbonic anhydrase 2 | 1 |
| 34875836 | 10.1021/acs.jmedchem.1c01691 | Carbonic anhydrase 9 | 1 |
| 34875836 | 10.1021/acs.jmedchem.1c01691 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine