Compound Detail
CHEMBL5182790
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Basic Information
| ChEMBL ID | CHEMBL5182790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAQOVWBGJHUBFR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.1
MW (Da)
2.16
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.76
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Cytomegalovirus CHEMBL613134 | EC50 | 4.76 | 4.76 | 17200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| Cytomegalovirus | EC50 | = | 17200.0 | nM | 4.76 | Antiviral activity against human cytomegalovirus expressing ADCREGFP infected in... | 35377638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | ADMET | 2 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Cytomegalovirus | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | HFF | 1 |
Data from ChEMBL 36 via Core Engine