Compound Detail
CHEMBL49511
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Basic Information
| ChEMBL ID | CHEMBL49511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBIJSBCKHDCANN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
202.2
MW (Da)
0.01
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 160.0 | nM | 6.8 | Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase | 3411600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3411600 | 10.1021/jm00117a011 | Adenosylhomocysteinase | 3 |
| 3411600 | 10.1021/jm00117a011 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine