Compound Detail
CHEMBL3093003
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Basic Information
| ChEMBL ID | CHEMBL3093003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGYUXMDVGXAOM-ZETCQYMHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.7
MW (Da)
0.27
ALogP
4
HBA
2
HBD
90.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of human carbonic anhydrase 2 by CO2 hydration assay | 24205976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24205976 | 10.1021/jm400894u | Mus musculus | 3 |
| 24205976 | 10.1021/jm400894u | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine