Compound Detail
CHEMBL183153
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 | CHEMBL183153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYAJHLNECHQMLJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
-1.15
ALogP
6
HBA
4
HBD
150.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.99 | 6.99 | 103.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.85 | 6.85 | 142.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.56 | 6.56 | 278.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 103.0 | nM | 6.99 | Inhibitory activity against human carbonic anhydrase I expressed in Escherichia ... | 15454239 |
| Carbonic anhydrase 9 | Ki | = | 142.0 | nM | 6.85 | Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia... | 15454239 |
| Carbonic anhydrase 2 | Ki | = | 278.0 | nM | 6.56 | Inhibitory activity against human carbonic anhydrase II expressed in Escherichia... | 15454239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454239 | 10.1016/j.bmcl.2004.07.087 | Carbonic anhydrase 1 | 1 |
| 15454239 | 10.1016/j.bmcl.2004.07.087 | Carbonic anhydrase 2 | 1 |
| 15454239 | 10.1016/j.bmcl.2004.07.087 | Carbonic anhydrase 9 | 1 |
| 15454239 | 10.1016/j.bmcl.2004.07.087 | Carbonic anhydrases; II & IX | 1 |
Data from ChEMBL 36 via Core Engine