Compound Detail
CHEMBL333281
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Basic Information
| ChEMBL ID | CHEMBL333281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPYLCKUKABWWRC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.5
MW (Da)
2.16
ALogP
6
HBA
1
HBD
63.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.59
Ki 1 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 9.36 | 9.36 | 0.4 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 0.44 | nM | 9.36 | Dissociation constant was reported against Carbonic anhydrase II | 12166932 |
| Carbonic anhydrase 2 | IC50 | = | 2.6 | nM | 8.59 | Inhibitory activity against carbonic anhydrase II | 12166932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166932 | 10.1021/jm011112j | Carbonic anhydrase 2 | 2 |
| 12166932 | 10.1021/jm011112j | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine