Compound Detail
CHEMBL1288622
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Basic Information
| ChEMBL ID | CHEMBL1288622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJTVZULEIDSNAK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.78
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zn finger protein CHEMBL1293200 | Ki | 7.48 | 7.48 | 33.2 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.33 | 7.33 | 46.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zn finger protein | Ki | = | 33.2 | nM | 7.48 | Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydrat... | 21067924 |
| Carbonic anhydrase 9 | Ki | = | 46.7 | nM | 7.33 | Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrati... | 21067924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21067924 | 10.1016/j.bmcl.2010.10.094 | Zn finger protein | 1 |
| 21067924 | 10.1016/j.bmcl.2010.10.094 | Carbonic anhydrase 9 | 1 |
| 21067924 | 10.1016/j.bmcl.2010.10.094 | Carbonic anhydrase 1 | 1 |
| 21067924 | 10.1016/j.bmcl.2010.10.094 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine