Compound Detail
CHEMBL17825
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Basic Information
| ChEMBL ID | CHEMBL17825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWHINRCANJWPCL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
1.87
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 7.46 | 7.455 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 35.0 | nM | 7.46 | In vitro inhibition of adenosine deaminase isolated from calf intestine. | 8289197 |
| Adenosine deaminase | Ki | = | 35.3 | nM | 7.45 | Inhibition of calf intestinal adenosine deaminase | 2002459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289197 | 10.1021/jm00027a026 | Adenosine deaminase | 1 |
| 2002459 | 10.1021/jm00107a044 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine