Compound Detail
CHEMBL46348
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL46348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRIQEESUOZNCLN-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
-0.60
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
EC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 1000.0 | nM | 6.0 | Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy... | 3411600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992143 | 10.1021/jm00105a064 | Mus musculus | 9 |
| 3411600 | 10.1021/jm00117a011 | Adenosylhomocysteinase | 3 |
| 1992143 | 10.1021/jm00105a064 | Unchecked | 2 |
| 3411600 | 10.1021/jm00117a011 | Vaccinia virus | 1 |
| 1992143 | 10.1021/jm00105a064 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine