Compound Detail
CHEMBL2304163
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Basic Information
| ChEMBL ID | CHEMBL2304163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVQNVZKEOBKPNJ-BQBZGAKWSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.2
MW (Da)
-0.29
ALogP
8
HBA
1
HBD
113.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 4.55 | 4.3567 | 28000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 28000.0 | nM | 4.55 | Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffe... | 7401106 |
| Adenosine deaminase | Ki | = | 30000.0 | nM | 4.52 | Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer... | 7401106 |
| Adenosine deaminase | Ki | = | 100000.0 | nM | 4.0 | Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer... | 7401106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7401106 | 10.1021/jm00181a017 | Adenosine deaminase | 4 |
Data from ChEMBL 36 via Core Engine