Compound Detail
CHEMBL5282825
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CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3cccc(C#N)c3)C2)c2cc(Cl)c(Cn3ccnc3)cc21
Basic Information
| ChEMBL ID | CHEMBL5282825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOPIRNCCIKRQLW-IBGZPJMESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.0
MW (Da)
4.13
ALogP
5
HBA
0
HBD
82.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.41
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | EC50 | = | 390.0 | nM | 6.41 | Antiviral activity against HCMV US3-6-EGFP-HCMV-AD169 infected in MRC5 cells ass... | 37037115 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of hERG expressed in CHO cells by automated patch clamp method | 37037115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37037115 | 10.1016/j.bmc.2023.117276 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37037115 | 10.1016/j.bmc.2023.117276 | Human betaherpesvirus 5 | 1 |
| 37037115 | 10.1016/j.bmc.2023.117276 | MRC5 | 1 |
| 37037115 | 10.1016/j.bmc.2023.117276 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine