Compound Detail
CHEMBL192395
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COC(=O)C(C)NP(=O)(OCC1(CO)C/C1=C\n1cnc2c(O)nc(N)nc21)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL192395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVBPMIMUPKIHPI-NTEUORMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
504.4
MW (Da)
1.69
ALogP
12
HBA
4
HBD
183.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 70000.0 | nM | 4.16 | Effective concentration required to inhibit herpes simplex virus 1 in BSC-1 cell... | 15634003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634003 | 10.1021/jm040149b | Human alphaherpesvirus 1 | 3 |
| 15634003 | 10.1021/jm040149b | Human betaherpesvirus 5 | 2 |
| 15634003 | 10.1021/jm040149b | NON-PROTEIN TARGET | 2 |
| 15634003 | 10.1021/jm040149b | Human alphaherpesvirus 2 | 2 |
| 15634003 | 10.1021/jm040149b | HFF | 2 |
| 15634003 | 10.1021/jm040149b | Human gammaherpesvirus 4 | 2 |
| 15634003 | 10.1021/jm040149b | Hepatitis B virus | 1 |
| 15634003 | 10.1021/jm040149b | Daudi | 1 |
| 15634003 | 10.1021/jm040149b | ADMET | 1 |
| 15634003 | 10.1021/jm040149b | MEF | 1 |
| 15634003 | 10.1021/jm040149b | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine