Compound Detail
CHEMBL1214249
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1214249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOCHSWKGVKRYIA-UHFFFAOYSA-N |
3
Targets
13
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
-0.09
ALogP
4
HBA
4
HBD
82.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 5B, mitochondrial CHEMBL3969 | Ki | 4.27 | 4.27 | 54000.0 | 1 |
| Carbonic anhydrase 5A, mitochondrial CHEMBL4789 | Ki | 4.21 | 4.21 | 62000.0 | 1 |
| Carbonic anhydrase 3 CHEMBL2885 | Ki | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 5B, mitochondrial | Ki | = | 54000.0 | nM | 4.27 | Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method | 20590092 |
| Carbonic anhydrase 5A, mitochondrial | Ki | = | 62000.0 | nM | 4.21 | Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method | 20590092 |
| Carbonic anhydrase 3 | Ki | = | 96000.0 | nM | 4.02 | Inhibition of human carbonic anhydrase 3 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