Compound Detail
CHEMBL5573411
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Basic Information
| ChEMBL ID | CHEMBL5573411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOQOMPILSRDJQO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
1.49
ALogP
9
HBA
3
HBD
171.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.32 | 7.32 | 47.6 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.21 | 7.21 | 62.2 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 6.83 | 6.83 | 147.3 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.14 | 6.14 | 731.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 47.6 | nM | 7.32 | Inhibition of human CA9 assessed as inhibition constant preincubated for 15 mins... | 38810335 |
| Carbonic anhydrase 2 | Ki | = | 62.2 | nM | 7.21 | Inhibition of human CA2 assessed as inhibition constant preincubated for 15 mins... | 38810335 |
| Carbonic anhydrase 12 | Ki | = | 147.3 | nM | 6.83 | Inhibition of human CA12 assessed as inhibition constant preincubated for 15 min... | 38810335 |
| Carbonic anhydrase 1 | Ki | = | 731.4 | nM | 6.14 | Inhibition of human CA1 assessed as inhibition constant preincubated for 15 mins... | 38810335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38810335 | 10.1016/j.ejmech.2024.116527 | Unchecked | 4 |
| 38810335 | 10.1016/j.ejmech.2024.116527 | Carbonic anhydrase 1 | 1 |
| 38810335 | 10.1016/j.ejmech.2024.116527 | Carbonic anhydrase 2 | 1 |
| 38810335 | 10.1016/j.ejmech.2024.116527 | Carbonic anhydrase 9 | 1 |
| 38810335 | 10.1016/j.ejmech.2024.116527 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine