Compound Detail
CHEMBL4165447
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Basic Information
| ChEMBL ID | CHEMBL4165447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLKLWLZBUKWYKP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.02
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.3975 | 19770.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 19952.62 | nM | 4.7 | Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... | 29886326 |
| Unchecked | EC50 | = | 19770.0 | nM | 4.7 | Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... | 29886326 |
| Unchecked | EC50 | = | 79432.82 | nM | 4.1 | Modulation of basal activity of HCMV US28 expressed in tetracyclin-induced HEK29... | 29886326 |
| Unchecked | EC50 | = | 80724.0 | nM | 4.09 | Modulation of basal activity of HCMV US28 expressed in tetracyclin-induced HEK29... | 29886326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29886326 | 10.1016/j.ejmech.2018.05.053 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine