Compound Detail
CHEMBL1802860
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CC(C)OC(=O)[C@H](COP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O)NC(=O)[C@H](N)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1802860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZEICHJSZPTPGF-OFQRWUPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
-1.22
ALogP
12
HBA
5
HBD
218.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against Human cytomegalovirus Towne infected in HFF cells ass... | 21641218 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21641218 | 10.1016/j.bmcl.2011.04.126 | Plasma | 2 |
| 21641218 | 10.1016/j.bmcl.2011.04.126 | Human betaherpesvirus 5 | 1 |
| 21641218 | 10.1016/j.bmcl.2011.04.126 | Vaccinia virus | 1 |
| 21641218 | 10.1016/j.bmcl.2011.04.126 | NON-PROTEIN TARGET | 1 |
| 21641218 | 10.1016/j.bmcl.2011.04.126 | HFF | 1 |
| 21641218 | 10.1016/j.bmcl.2011.04.126 | KB | 1 |
Data from ChEMBL 36 via Core Engine