Compound Detail
CHEMBL444312
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Basic Information
| ChEMBL ID | CHEMBL444312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVRHFDQPRYKRDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
1.79
ALogP
5
HBA
3
HBD
84.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEL CHEMBL613888 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEL | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. | 7752205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752205 | 10.1021/jm00010a026 | HEL | 2 |
Data from ChEMBL 36 via Core Engine