Compound Detail
CHEMBL3092746
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Basic Information
| ChEMBL ID | CHEMBL3092746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTVOERCQNQYSIK-YHARCJFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.60
ALogP
6
HBA
0
HBD
111.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 15600.0 | nM | 4.81 | 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