Compound Detail
CHEMBL549757
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Basic Information
| ChEMBL ID | CHEMBL549757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBITXFFJRLBCBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.2
MW (Da)
1.68
ALogP
6
HBA
3
HBD
110.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 6.48 | 6.48 | 331.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 331.0 | nM | 6.48 | Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay | 19527930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19527930 | 10.1016/j.bmcl.2009.06.002 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine