Compound Detail
CHEMBL9688
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Basic Information
| ChEMBL ID | CHEMBL9688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJVMDMFIKVECCV-CBAPKCEASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
1.00
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 0.3 | nM | 9.52 | Compound was evaluated for the inhibitory constant towards Human Carbonic anhydr... | 8164249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164249 | 10.1021/jm00034a001 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine