Compound Detail
CHEMBL609782
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Basic Information
| ChEMBL ID | CHEMBL609782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWUSTNLBSHEJLK-VYAYZGMFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
2.17
ALogP
6
HBA
3
HBD
79.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.7 | 5.67 | 2000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 2000.0 | nM | 5.7 | Compound was tested for antiviral activity against HCMV in DNA hybridization ass... | 10882374 |
| Human betaherpesvirus 5 | IC50 | = | 2300.0 | nM | 5.64 | Compound was tested for antiviral activity against HCMV in viral cytopathic effe... | 10882374 |
| Unchecked | IC50 | = | 43000.0 | nM | 4.37 | Compound was tested for inhibition of MOLT 4 cells. | 10882374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882374 | 10.1021/jm990195p | Human betaherpesvirus 5 | 2 |
| 10882374 | 10.1021/jm990195p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine