Compound Detail
CHEMBL4637324
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Basic Information
| ChEMBL ID | CHEMBL4637324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBZBFGUUFVGZPJ-QQRDMOCMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
-0.22
ALogP
8
HBA
4
HBD
116.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 3050.0 | nM | 5.52 | Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 ... | 31841728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31841728 | 10.1016/j.ejmech.2019.111956 | SARS-CoV | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Middle East respiratory syndrome-related coronavirus | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Adenosylhomocysteinase | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Chikungunya virus | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Vero C1008 | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Zika virus | 1 |
Data from ChEMBL 36 via Core Engine