Compound Detail
CHEMBL298115
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 | CHEMBL298115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHLQYTNMSXEBIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
1.37
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 930.0 | nM | 6.03 | Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy... | 3411600 |
| Vaccinia virus | IC50 | = | 60000.0 | nM | 4.22 | Evaluated for 50% plaque inhibition of vaccinia virus replication in murine L929... | 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