Compound Detail
CHEMBL54930
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O=C(Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1)NS(=O)(=O)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL54930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOFXZNBRDPPMAB-BJMVGYQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.5
MW (Da)
7.38
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Capsid scaffolding protein CHEMBL3771 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Capsid scaffolding protein | IC50 | = | 4.7 | nM | 8.33 | Inhibitory concentration against HCMV protease. | 15055990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055990 | 10.1021/jm030540h | Capsid scaffolding protein | 1 |
Data from ChEMBL 36 via Core Engine