Compound Detail
CHEMBL4444937
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Basic Information
| ChEMBL ID | CHEMBL4444937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUFCSOOPODDBIP-FMQZQXMHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.7
MW (Da)
0.20
ALogP
6
HBA
4
HBD
132.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 5A, mitochondrial CHEMBL4789 | Ki | 6.0 | 6.0 | 996.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 5A, mitochondrial | Ki | = | 996.9 | nM | 6.0 | Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme f... | 31387062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31387062 | 10.1016/j.ejmech.2019.111565 | Carbonic anhydrase 1 | 1 |
| 31387062 | 10.1016/j.ejmech.2019.111565 | Carbonic anhydrase 2 | 1 |
| 31387062 | 10.1016/j.ejmech.2019.111565 | Carbonic anhydrase 5A, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine