Compound Detail
CHEMBL3142828
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[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C(N)=O)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL3142828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCPNQDQDFLHWOD-ADVRJHOBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
-0.96
ALogP
9
HBA
4
HBD
198.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 28000.0 | nM | 4.55 | Tested in vitro for antiviral activity against human cytomegalovirus (HCMV) in p... | 2175356 |
| HFF | IC50 | = | 66000.0 | nM | 4.18 | Tested in vitro for cytotoxicity against the normal human diploid cells (HFF cel... | 2175356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2175356 | 10.1021/jm00174a011 | Human betaherpesvirus 5 | 2 |
| 2175356 | 10.1021/jm00174a011 | ADMET | 2 |
| 2175356 | 10.1021/jm00174a011 | Human alphaherpesvirus 1 | 1 |
| 2175356 | 10.1021/jm00174a011 | HFF | 1 |
| 2175356 | 10.1021/jm00174a011 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine