Compound Detail
CHEMBL158261
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Basic Information
| ChEMBL ID | CHEMBL158261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKLCYOHFTPREOW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
1.07
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.07
Ki 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 3.63 | nM | 8.44 | In vitro binding to human erythrocyte Carbonic anhydrase II was determined by fl... | 3560154 |
| Carbonic anhydrase 2 | IC50 | = | 8.5 | nM | 8.07 | In vitro inhibition against purified human erythrocyte carbonic anhydrase II was... | 3560154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3560154 | 10.1021/jm00387a002 | No relevant target | 3 |
| 3560154 | 10.1021/jm00387a002 | Carbonic anhydrase 2 | 2 |
Data from ChEMBL 36 via Core Engine