Compound Detail
CHEMBL150302
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Basic Information
| ChEMBL ID | CHEMBL150302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJQYTHQDUDCJEQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
1.37
ALogP
4
HBA
1
HBD
74.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 240.0 | nM | 6.62 | Inhibition of human CA IX by stopped-flow CO2 hydrase assay | 38308950 |
| Macrophage migration inhibitory factor | Ki | = | 2900.0 | nM | 5.54 | Inhibitory activity against tautomerase macrophage migration inhibitory factor (... | 11170644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170644 | 10.1021/jm000386o | Macrophage migration inhibitory factor | 1 |
| 38308950 | 10.1016/j.ejmech.2024.116170 | Carbonic anhydrase 2 | 1 |
| 38308950 | 10.1016/j.ejmech.2024.116170 | Carbonic anhydrase 9 | 1 |
| 38308950 | 10.1016/j.ejmech.2024.116170 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine