Compound Detail
CHEMBL197562
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Basic Information
| ChEMBL ID | CHEMBL197562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHMGMLCMCKUCRO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
4.15
ALogP
5
HBA
2
HBD
71.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL3414 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against human cytomegalovirus (Davis strain) grown on human f... | 16134946 |
| DNA polymerase catalytic subunit | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solutio... | 16134946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134946 | 10.1021/jm050162b | DNA polymerase catalytic subunit | 1 |
| 16134946 | 10.1021/jm050162b | HFF | 1 |
Data from ChEMBL 36 via Core Engine