Compound Detail
CHEMBL609357
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Basic Information
| ChEMBL ID | CHEMBL609357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPWYFUNPKRVJJO-QHPFDFDXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
1.83
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
| KB CHEMBL398 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 3800.0 | nM | 5.42 | Concentration required for 50% inhibition of HCMV replication was measured using... | 9057868 |
| HFF | IC50 | = | 44000.0 | nM | 4.36 | Visual cytotoxicity was scored on HFF cells at time of HCMV plaque enumeration | 9057868 |
| KB | IC50 | = | 88000.0 | nM | 4.06 | Inhibition of KB cell growth was determined | 9057868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057868 | 10.1021/jm960462g | Human betaherpesvirus 5 | 2 |
| 9057868 | 10.1021/jm960462g | Human alphaherpesvirus 1 | 1 |
| 9057868 | 10.1021/jm960462g | HFF | 1 |
| 9057868 | 10.1021/jm960462g | KB | 1 |
Data from ChEMBL 36 via Core Engine