Compound Detail
CHEMBL2430111
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Basic Information
| ChEMBL ID | CHEMBL2430111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYSWMHFXVFMYFI-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.73
ALogP
3
HBA
2
HBD
89.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.11 | 7.11 | 78.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 78.0 | nM | 7.11 | Inhibition of human carbonic anhydrase-12 by stopped flow CO2 hydrase assay | 23993330 |
| Carbonic anhydrase 9 | Ki | = | 96.0 | nM | 7.02 | Inhibition of human carbonic anhydrase-9 by stopped flow CO2 hydrase assay | 23993330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993330 | 10.1016/j.bmcl.2013.08.019 | Carbonic anhydrase 12 | 1 |
| 23993330 | 10.1016/j.bmcl.2013.08.019 | Carbonic anhydrase 9 | 1 |
Data from ChEMBL 36 via Core Engine