Compound Detail
CHEMBL158363
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Basic Information
| ChEMBL ID | CHEMBL158363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWEPFAMAQPVFBH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
-0.06
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Ki 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.98 | 6.98 | 104.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition against purified human erythrocyte carbonic anhydrase II was... | 3560154 |
| Carbonic anhydrase 2 | Ki | = | 104.0 | nM | 6.98 | In vitro binding to human erythrocyte carbonic anhydrase was determined by fluor... | 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