Compound Detail
CHEMBL349866
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Basic Information
| ChEMBL ID | CHEMBL349866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILMNSCQOSGKTNZ-BQBZGAKWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
265.2
MW (Da)
-1.32
ALogP
9
HBA
2
HBD
133.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 8000.0 | nM | 5.1 | 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 | 2 |
Data from ChEMBL 36 via Core Engine