Compound Detail
CHEMBL84021
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Basic Information
| ChEMBL ID | CHEMBL84021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTPOXVYOZZOOOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.02
ALogP
7
HBA
1
HBD
116.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 4.1 | nM | 8.39 | In vitro inhibition of human Carbonic Anhydrase II | 2810337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2810337 | 10.1021/jm00131a011 | Oryctolagus cuniculus | 2 |
| 2810337 | 10.1021/jm00131a011 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine