Compound Detail
CHEMBL2414439
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Basic Information
| ChEMBL ID | CHEMBL2414439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQSVPHSKZQDOGJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.1
MW (Da)
3.75
ALogP
4
HBA
1
HBD
97.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.56 | 7.56 | 27.7 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.35 | 6.35 | 444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 3.5 | nM | 8.46 | Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins by s... | 23867389 |
| Carbonic anhydrase 2 | Ki | = | 27.7 | nM | 7.56 | Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by s... | 23867389 |
| Carbonic anhydrase 1 | Ki | = | 444.0 | nM | 6.35 | Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by s... | 23867389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867389 | 10.1016/j.bmc.2013.06.035 | Carbonic anhydrase 7 | 1 |
| 23867389 | 10.1016/j.bmc.2013.06.035 | Carbonic anhydrase 2 | 1 |
| 23867389 | 10.1016/j.bmc.2013.06.035 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine