Compound Detail
CHEMBL292750
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Basic Information
| ChEMBL ID | CHEMBL292750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWCNYEHLPOMJOI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
212.3
MW (Da)
1.57
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 6.22 | 5.52 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 600.0 | nM | 6.22 | In vitro inhibition of adenosine deaminase isolated from calf intestine. | 8289197 |
| Adenosine deaminase | Ki | = | 15000.0 | nM | 4.82 | In vitro inhibition of adenosine deaminase isolated from calf intestine. | 8289197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289197 | 10.1021/jm00027a026 | Adenosine deaminase | 2 |
Data from ChEMBL 36 via Core Engine