Compound Detail
CHEMBL480147
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CCN(CC)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)C[C@@H](O)c3ccco3)oc21
Basic Information
| ChEMBL ID | CHEMBL480147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWCHHSKTBKQRTP-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.1
MW (Da)
4.28
ALogP
8
HBA
2
HBD
104.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.41 | 3920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3920.0 | nM | 5.41 | Inhibition of HCMV DNA polymerase by scintillation proximity assay | 18595689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine