Compound Detail
CHEMBL388169
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Basic Information
| ChEMBL ID | CHEMBL388169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOYGGDVUCWUNAW-ZJUUUORDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
237.2
MW (Da)
0.43
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.17 | 4.17 | 67000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 67000.0 | nM | 4.17 | Antiviral activity against HSV1 in CCL81 cells | 17188402 |
| Human betaherpesvirus 5 | EC50 | = | 71000.0 | nM | 4.15 | Antiviral activity against HCMV AD169 | 17188402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human immunodeficiency virus 1 | 1 |
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human alphaherpesvirus 1 | 1 |
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human alphaherpesvirus 2 | 1 |
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine