Compound Detail
CHEMBL1233360
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 | CHEMBL1233360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDBGXEHEIRGOBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
142.1
MW (Da)
-1.44
ALogP
3
HBA
3
HBD
86.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.3 | 4.3 | 49510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 49510.0 | nM | 4.3 | Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by ... | 26073005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26073005 | 10.1016/j.bmcl.2015.05.073 | Carbonic anhydrase 1 | 2 |
| 37591319 | 10.1016/j.bmcl.2023.129432 | Venezuelan equine encephalitis virus | 2 |
| 26073005 | 10.1016/j.bmcl.2015.05.073 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine