Compound Detail
CHEMBL446518
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Basic Information
| ChEMBL ID | CHEMBL446518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWYMACPLPPQCHC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.70
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.21
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zn finger protein CHEMBL1293200 | Ki | 7.21 | 7.21 | 61.9 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zn finger protein | Ki | = | 61.9 | nM | 7.21 | Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydrat... | 21067924 |
| Carbonic anhydrase 9 | Ki | = | 73.0 | nM | 7.14 | Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrati... | 21067924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18675491 | 10.1016/j.ejmech.2008.06.003 | Entamoeba histolytica | 1 |
| 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