Compound Detail
CHEMBL1214323
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Basic Information
| ChEMBL ID | CHEMBL1214323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZYHRPXUOHTHQR-UHFFFAOYSA-N |
5
Targets
12
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.39
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.91 | 5.91 | 1240.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 4.91 | 4.91 | 12200.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.91 | 4.91 | 12300.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 4.67 | 4.67 | 21500.0 | 1 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 1240.0 | nM | 5.91 | Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method | 20590092 |
| Carbonic anhydrase 4 | Ki | = | 12300.0 | nM | 4.91 | Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method | 20590092 |
| Carbonic anhydrase 9 | Ki | = | 12200.0 | nM | 4.91 | Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method | 20590092 |
| Carbonic anhydrase 12 | Ki | = | 21500.0 | nM | 4.67 | Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method | 20590092 |
| Carbonic anhydrase 14 | Ki | = | 34000.0 | nM | 4.47 | Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method | 20590092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 1 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 2 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 3 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 4 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 5B, mitochondrial | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 6 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 7 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 9 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 12 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 13 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 14 | 1 |
| 20590092 | 10.1021/jm1003667 | Carbonic anhydrase 15 | 1 |
Data from ChEMBL 36 via Core Engine