Compound Detail
CHEMBL4166806
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Basic Information
| ChEMBL ID | CHEMBL4166806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKGHXQNYQCPDKD-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
2.61
ALogP
5
HBA
1
HBD
53.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.9 | 5.945 | 125.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 125.89 | nM | 6.9 | Modulation of basal activity of HCMV US28 expressed in tetracyclin-induced HEK29... | 29886326 |
| Unchecked | EC50 | = | 133.0 | nM | 6.88 | Modulation of basal activity of HCMV US28 expressed in tetracyclin-induced HEK29... | 29886326 |
| Unchecked | EC50 | = | 10000.0 | nM | 5.0 | Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... | 29886326 |
| Unchecked | EC50 | = | 9880.0 | nM | 5.0 | Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... | 29886326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29886326 | 10.1016/j.ejmech.2018.05.053 | Unchecked | 7 |
Data from ChEMBL 36 via Core Engine