Compound Detail
CHEMBL331715
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Basic Information
| ChEMBL ID | CHEMBL331715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKWCLONNSFRCHM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
129.0
MW (Da)
0.05
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 5.42 | 5.42 | 3800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 3800.0 | nM | 5.42 | Inhibitory activity against carbonic anhydrase II | 12166932 |
| Carbonic anhydrase 2 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of human carbonic anhydrase 2 | 21413808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166932 | 10.1021/jm011112j | Carbonic anhydrase 2 | 1 |
| 12166932 | 10.1021/jm011112j | No relevant target | 1 |
| 21413808 | 10.1021/jm1013693 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine