Compound Detail
CHEMBL1089045
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Basic Information
| ChEMBL ID | CHEMBL1089045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUJQIHRSATWPQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
0.83
ALogP
4
HBA
1
HBD
81.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 8.19 | 8.19 | 6.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 6.4 | nM | 8.19 | Inhibition of human recombinant CAH7 | 21395315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20170095 | 10.1021/jm9014026 | Unchecked | 2 |
| 20170095 | 10.1021/jm9014026 | Carbonic anhydrase 14 | 1 |
| 20170095 | 10.1021/jm9014026 | Carbonic anhydrase 9 | 1 |
| 20170095 | 10.1021/jm9014026 | Carbonic anhydrase 2 | 1 |
| 20170095 | 10.1021/jm9014026 | Carbonic anhydrase 1 | 1 |
| 21395315 | 10.1021/jm2000213 | Carbonic anhydrase 7 | 1 |
Data from ChEMBL 36 via Core Engine