Compound Detail
CHEMBL50728
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Basic Information
| ChEMBL ID | CHEMBL50728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARXCSQAWGSSJBG-WDQPUEAGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
-0.12
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 22.0 | nM | 7.66 | Inhibitory activity against bovine liver S-adenosyl-L-homocysteine hydrolase (Ad... | 1588558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1588558 | 10.1021/jm00088a013 | Adenosylhomocysteinase | 2 |
| 1588558 | 10.1021/jm00088a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine