Compound Detail
CHEMBL5267981
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O=C(O)Cc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23
Basic Information
| ChEMBL ID | CHEMBL5267981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDJKNSRCJHJZDA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
493.9
MW (Da)
2.93
ALogP
6
HBA
2
HBD
100.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 730.0 | nM | 6.14 | Inhibition of HCMV DNA polymerase incubated for 10 mins in presence of dNTP by f... | 37037115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37037115 | 10.1016/j.bmc.2023.117276 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 37037115 | 10.1016/j.bmc.2023.117276 | MRC5 | 2 |
| 37037115 | 10.1016/j.bmc.2023.117276 | ADMET | 2 |
| 37037115 | 10.1016/j.bmc.2023.117276 | Human betaherpesvirus 5 | 1 |
| 37037115 | 10.1016/j.bmc.2023.117276 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine