Compound Detail
CHEMBL213348
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 | CHEMBL213348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKYZMAVGJARVPE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.0
MW (Da)
2.50
ALogP
2
HBA
3
HBD
61.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.51 | 6.51 | 310.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.27 | 6.27 | 540.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 6.05 | 6.05 | 890.0 | 1 |
| Carbonic anhydrase 5A, mitochondrial CHEMBL4789 | Ki | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 310.0 | nM | 6.51 | Inhibition of human CA2 | 16759856 |
| Carbonic anhydrase 9 | Ki | = | 540.0 | nM | 6.27 | Inhibition of human CA9 | 16759856 |
| Carbonic anhydrase 4 | Ki | = | 890.0 | nM | 6.05 | Inhibition of human CA4 | 16759856 |
| Carbonic anhydrase 5A, mitochondrial | Ki | = | 910.0 | nM | 6.04 | Inhibition of human CA5a | 16759856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759856 | 10.1016/j.bmcl.2006.05.068 | Carbonic anhydrase 9 | 1 |
| 16759856 | 10.1016/j.bmcl.2006.05.068 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 16759856 | 10.1016/j.bmcl.2006.05.068 | Carbonic anhydrase 4 | 1 |
| 16759856 | 10.1016/j.bmcl.2006.05.068 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine