Compound Detail
CHEMBL456220
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CCCCCCCCCCCCCCCCCCOCCCOP(=O)([O-])CO[C@H](CO)Cn1ccc(N)nc1=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL456220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLSRPFRPLSTLMM-YCBFMBTMSA-M |
| Parent Compound | CHEMBL1207921 |
| Active Moiety | CHEMBL1207921 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
589.8
MW (Da)
6.03
ALogP
9
HBA
3
HBD
146.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 0.03 | nM | 10.52 | Antiviral activity against Human cytomegalovirus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine