Compound Detail
CHEMBL2111556
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Basic Information
| ChEMBL ID | CHEMBL2111556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGIKBEHQPSXRFZ-VPOLOUISSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
-1.82
ALogP
7
HBA
5
HBD
142.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 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 1 CHEMBL261 | Ki | 6.12 | 6.12 | 750.0 | 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 | Inhibition of human carbonic anhydrase II | 14684332 |
| Carbonic anhydrase 1 | Ki | = | 750.0 | nM | 6.12 | Inhibition of human carbonic anhydrase I | 14684332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684332 | 10.1016/j.bmcl.2003.09.063 | Carbonic anhydrase 1 | 1 |
| 14684332 | 10.1016/j.bmcl.2003.09.063 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine