Compound Detail
CHEMBL3233386
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Basic Information
| ChEMBL ID | CHEMBL3233386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZZFBUZSKAVIOV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
0.03
ALogP
5
HBA
1
HBD
106.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.02 | 7.02 | 95.8 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 95.8 | nM | 7.02 | Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia co... | 24689792 |
| Carbonic anhydrase 12 | Ki | = | 15600.0 | nM | 4.81 | Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia c... | 24689792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24689792 | 10.1021/jm500255y | Unchecked | 4 |
| 24689792 | 10.1021/jm500255y | Carbonic anhydrase 1 | 1 |
| 24689792 | 10.1021/jm500255y | Carbonic anhydrase 2 | 1 |
| 24689792 | 10.1021/jm500255y | Carbonic anhydrase 9 | 1 |
| 24689792 | 10.1021/jm500255y | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine