Compound Detail
CHEMBL479772
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CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(F)cc3)cn(C)c2o1)C[C@@H](O)c1ccco1
Basic Information
| ChEMBL ID | CHEMBL479772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTXFYLPSYHRDDC-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
2.96
ALogP
7
HBA
2
HBD
100.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 610.0 | nM | 6.21 | 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