Compound Detail
CHEMBL13975
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Basic Information
| ChEMBL ID | CHEMBL13975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFUHXXNSQFFIMM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
0.73
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.1 | 7.78 | 8.0 | 2 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 8.0 | nM | 8.1 | Inhibition of human carbonic anhydrase II (hCA II) | 10843231 |
| Carbonic anhydrase 4 | Ki | = | 24.0 | nM | 7.62 | Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes | 10843231 |
| Carbonic anhydrase 2 | Ki | = | 35.0 | nM | 7.46 | Binding affinity of compound against human Carbonic anhydrase II | 10969992 |
| Carbonic anhydrase 1 | Ki | = | 360.0 | nM | 6.44 | Inhibition of human carbonic anhydrase I (CAI) | 10843231 |
Literature References
Data from ChEMBL 36 via Core Engine