Compound Detail
CHEMBL1946085
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 | CHEMBL1946085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYDTZDJUBISFCH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
485.0
MW (Da)
5.29
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.36 | 5.36 | 4420.0 | 1 |
| Carbonic anhydrase 6 CHEMBL3025 | Ki | 5.25 | 5.25 | 5590.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 5.12 | 5.12 | 7680.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.88 | 4.88 | 13270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 4420.0 | nM | 5.36 | Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 6 | Ki | = | 5590.0 | nM | 5.25 | Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 4 | Ki | = | 7680.0 | nM | 5.12 | Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 1 | Ki | = | 13270.0 | nM | 4.88 | Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylac... | 22230050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 1 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 2 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 4 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 6 | 1 |
Data from ChEMBL 36 via Core Engine