Compound Detail
CHEMBL1085684
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CN(Cc1cc2c3c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn3CC(=O)N2C)C[C@@H](O)c1ccco1
Basic Information
| ChEMBL ID | CHEMBL1085684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZICLPIASSYXAA-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.0
MW (Da)
3.32
ALogP
7
HBA
2
HBD
108.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Human cytomegalovirus infected in HFF cells by plaque... | 20167488 |
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of HCMV recombinant DNA polymerase expressed in baculovirus infected ... | 20167488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20167488 | 10.1016/j.bmcl.2010.01.094 | Unchecked | 1 |
| 20167488 | 10.1016/j.bmcl.2010.01.094 | Human betaherpesvirus 5 | 1 |
| 20167488 | 10.1016/j.bmcl.2010.01.094 | HFF | 1 |
Data from ChEMBL 36 via Core Engine