Compound Detail
CHEMBL9435
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Basic Information
| ChEMBL ID | CHEMBL9435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQIFJDRISXFIQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.82
ALogP
7
HBA
0
HBD
55.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 12000.0 | nM | 4.92 | Binding affinity towards calf spleen adenosine deaminase was determined | 14761206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761206 | 10.1021/jm0304257 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine