Compound Detail
CHEMBL393378
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CN(CC1=CC2C(=O)C(C(=O)NCc3ccc(Cl)cc3)=CN(C)C2S1)CC(O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL393378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDYNWUYJEJOIIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.1
MW (Da)
3.59
ALogP
6
HBA
2
HBD
72.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human cytomegalovirus DNA polymerase | 17513108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17513108 | 10.1016/j.bmcl.2007.05.010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine