Compound Detail
CHEMBL185198
CYNOOXIDE ANION Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL185198 |
| Name | CYNOOXIDE ANION |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXKUODQYLDZXDL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
43.0
MW (Da)
0.45
ALogP
1
HBA
0
HBD
27.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Carbonic anhydrase CHEMBL3932 | Ki | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 700.0 | nM | 6.16 | Inhibitory constant against carbonic anhydrase I | 15357993 |
| Carbonic anhydrase 2 | Ki | = | 30000.0 | nM | 4.52 | Inhibitory constant against carbonic anhydrase II | 15357993 |
| Carbonic anhydrase 4 | Ki | = | 30000.0 | nM | 4.52 | Inhibitory constant against carbonic anhydrase IV | 15357993 |
| Carbonic anhydrase | Ki | = | 90000.0 | nM | 4.05 | Inhibitory constant against Zn-Cam (Methanosarcina thermophila) | 15357993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357993 | 10.1016/j.bmcl.2004.06.073 | Carbonic anhydrase | 2 |
| 15357993 | 10.1016/j.bmcl.2004.06.073 | Carbonic anhydrase 1 | 1 |
| 15357993 | 10.1016/j.bmcl.2004.06.073 | Carbonic anhydrase 2 | 1 |
| 15357993 | 10.1016/j.bmcl.2004.06.073 | Carbonic anhydrase 4 | 1 |
Data from ChEMBL 36 via Core Engine