Compound Detail
CHEMBL316757
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Basic Information
| ChEMBL ID | CHEMBL316757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOBUXCVHSZLAIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
1.00
ALogP
6
HBA
3
HBD
105.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human erythrocyte carbonic anhydrase II | 1501230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1501230 | 10.1021/jm00094a016 | No relevant target | 4 |
| 1501230 | 10.1021/jm00094a016 | Carbonic anhydrase 2 | 2 |
Data from ChEMBL 36 via Core Engine