Compound Detail
CHEMBL608312
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Basic Information
| ChEMBL ID | CHEMBL608312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLDOTDVQNFUCHQ-YNJARDAQSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.1
MW (Da)
-0.58
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.1
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E6SM CHEMBL614149 | EC50 | 7.1 | 6.84 | 80.0 | 2 |
| Adenosylhomocysteinase CHEMBL2664 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Vero CHEMBL391 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E6SM | EC50 | = | 80.0 | nM | 7.1 | concentration required to inhibit VSV-induced cytopathicity by 50% in E6SM cells | 9748360 |
| E6SM | EC50 | = | 260.0 | nM | 6.58 | concentration required to inhibit vaccinia virus-induced cytopathicity by 50% in... | 9748360 |
| Adenosylhomocysteinase | Ki | = | 1100.0 | nM | 5.96 | Kinetic constant calculated from the pseudo-first-order rate constant(k app) for... | 9748360 |
| Vero | EC50 | = | 2600.0 | nM | 5.58 | concentration required to inhibit parainfluenza-3 virus-induced cytopathicity by... | 9748360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748360 | 10.1021/jm980163m | Adenosylhomocysteinase | 10 |
| 9748360 | 10.1021/jm980163m | E6SM | 6 |
| 9748360 | 10.1021/jm980163m | Vero | 6 |
| 9748360 | 10.1021/jm980163m | HeLa | 4 |
Data from ChEMBL 36 via Core Engine