Compound Detail
CHEMBL3092752
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Basic Information
| ChEMBL ID | CHEMBL3092752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POOCDAFRRKDABS-AYKLPDECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.65
ALogP
6
HBA
2
HBD
83.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.83 | 5.83 | 1490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 1490.0 | nM | 5.83 | Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration pre... | 24189056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24189056 | 10.1016/j.bmcl.2013.10.026 | Carbonic anhydrase 12 | 1 |
| 24189056 | 10.1016/j.bmcl.2013.10.026 | Carbonic anhydrase 9 | 1 |
| 24189056 | 10.1016/j.bmcl.2013.10.026 | Carbonic anhydrase 2 | 1 |
| 24189056 | 10.1016/j.bmcl.2013.10.026 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine