Compound Detail
CHEMBL461039
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Basic Information
| ChEMBL ID | CHEMBL461039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJWYZNSXBVSPLH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.35
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.32 | 7.32 | 47.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 47.91 | nM | 7.32 | Inhibition of bovine spleen adenosine deaminase type 9 by spectrophotometry | 19226143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19226143 | 10.1021/jm801427r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine