Compound Detail
CHEMBL4848335
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Basic Information
| ChEMBL ID | CHEMBL4848335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLHVIPWZMISNDN-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
1.50
ALogP
6
HBA
1
HBD
64.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.54
IC50 3 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Cytomegalovirus CHEMBL613134 | EC50 | 5.54 | 5.54 | 2900.0 | 2 |
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.21 | 5.21 | 6200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against human cytomegalovirus expressing ADCREGFP infected in... | 34147908 |
| Cytomegalovirus | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against human cytomegalovirus expressing ADCREGFP infected in... | 35377638 |
| Cytomegalovirus | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against Human Cytomegalovirus | 37827528 |
| Tripartite terminase subunit 3 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of human cytomegalovirus pUL89 endonuclease activity using 60 bp dsDN... | 34147908 |
| Tripartite terminase subunit 3 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of human cytomegalovirus pUL89-C | 35377638 |
| Tripartite terminase subunit 3 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of Human Cytomegalovirus C-terminal UL89 phosphorylation using (5-tcg... | 37827528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34147908 | 10.1016/j.ejmech.2021.113640 | Tripartite terminase subunit 3 | 3 |
| 34147908 | 10.1016/j.ejmech.2021.113640 | Unchecked | 2 |
| 34147908 | 10.1016/j.ejmech.2021.113640 | HEL 299 | 2 |
| 34147908 | 10.1016/j.ejmech.2021.113640 | ADMET | 2 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Cytomegalovirus | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | HFF | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | ADMET | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Tripartite terminase subunit 3 | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Cytomegalovirus | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | HFF | 1 |
Data from ChEMBL 36 via Core Engine