Compound Detail
CHEMBL480129
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CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)C[C@@H](O)c1ncccn1
Basic Information
| ChEMBL ID | CHEMBL480129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMBHTTNJUXBIBT-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.9
MW (Da)
2.67
ALogP
8
HBA
2
HBD
113.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 170.0 | nM | 6.77 | Inhibition of HCMV DNA polymerase by scintillation proximity assay | 18595689 |
| Human betaherpesvirus 5 | IC50 | = | 360.0 | nM | 6.44 | Antiviral activity against HCMV Davis by plaque reduction assay | 18595689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Unchecked | 1 |
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine