Compound Detail
CHEMBL154865
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Basic Information
| ChEMBL ID | CHEMBL154865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLXZJWIQXIKPRD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
0.72
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 2.7 | nM | 8.57 | Inhibitory activity against human carbonic anhydrase II. | 14640555 |
| Carbonic anhydrase 9 | Ki | = | 13.0 | nM | 7.89 | Inhibitory activity against human carbonic anhydrase IX. | 14640555 |
| Carbonic anhydrase 1 | Ki | = | 100.0 | nM | 7.0 | Inhibitory activity against human carbonic anhydrase I. | 14640555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 1 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 2 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 9 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrases; II & IX | 1 |
Data from ChEMBL 36 via Core Engine