Compound Detail
CHEMBL2170198
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Basic Information
| ChEMBL ID | CHEMBL2170198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZRLAHZXKNJMGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
1.70
ALogP
7
HBA
2
HBD
124.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 10.0 | nM | 8.0 | Inhibition of human CA2 | 21354674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21354674 | 10.1016/j.ejmech.2011.01.047 | Mus musculus | 1 |
| 21354674 | 10.1016/j.ejmech.2011.01.047 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine