Compound Detail
CHEMBL461963
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Basic Information
| ChEMBL ID | CHEMBL461963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEVVVKHQSKYBMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
1.56
ALogP
4
HBA
4
HBD
121.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 10.0 | nM | 8.0 | Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay | 19097911 |
| Carbonic anhydrase 2 | Ki | = | 380.0 | nM | 6.42 | Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay | 19097911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19097911 | 10.1016/j.bmc.2008.11.071 | Carbonic anhydrase 2 | 1 |
| 19097911 | 10.1016/j.bmc.2008.11.071 | Carbonic anhydrase 9 | 1 |
Data from ChEMBL 36 via Core Engine