Compound Detail
CHEMBL71000
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 | CHEMBL71000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAUQDDYMIUOZRA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.9
MW (Da)
2.27
ALogP
4
HBA
3
HBD
122.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 15.0 | nM | 7.82 | Compound was evaluated for inhibition against human carbonic anhydrase II | 14684331 |
| Carbonic anhydrase 9 | Ki | = | 24.0 | nM | 7.62 | Compound was evaluated for inhibition against human carbonic anhydrase IX | 14684331 |
| Carbonic anhydrase 1 | Ki | = | 31.0 | nM | 7.51 | Compound was evaluated for inhibition against human carbonic anhydrase I | 14684331 |
| Carbonic anhydrase 4 | Ki | = | 65.0 | nM | 7.19 | Compound was evaluated for inhibition against bovine carbonic anhydrase IV | 14684331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684331 | 10.1016/j.bmcl.2003.09.062 | Carbonic anhydrase 1 | 1 |
| 14684331 | 10.1016/j.bmcl.2003.09.062 | Carbonic anhydrase 2 | 1 |
| 14684331 | 10.1016/j.bmcl.2003.09.062 | Carbonic anhydrase 4 | 1 |
| 14684331 | 10.1016/j.bmcl.2003.09.062 | Carbonic anhydrase 9 | 1 |
Data from ChEMBL 36 via Core Engine