Compound Detail
CHEMBL363625
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Basic Information
| ChEMBL ID | CHEMBL363625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMPDJKLCDOCUMM-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
3.45
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase catalytic subunit CHEMBL4859 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| HFF CHEMBL614071 | IC50 | 6.77 | 6.385 | 170.0 | 2 |
| DNA polymerase catalytic subunit CHEMBL1872 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL3414 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Vero CHEMBL391 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Simplexvirus CHEMBL613316 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase catalytic subunit | IC50 | = | 70.0 | nM | 7.16 | Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a soluti... | 16134946 |
| HFF | IC50 | = | 170.0 | nM | 6.77 | Antiviral activity against Varicella-Zoster virus (Webster strain) grown on huma... | 16134946 |
| DNA polymerase catalytic subunit | IC50 | = | 300.0 | nM | 6.52 | Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a s... | 16134946 |
| DNA polymerase catalytic subunit | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solutio... | 16134946 |
| HFF | IC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against human cytomegalovirus (Davis strain) grown on human f... | 16134946 |
| Vero | IC50 | = | 7400.0 | nM | 5.13 | Antiviral activity against herpes simplex virus type 1 (KOS strain) grown on hum... | 16134946 |
| Simplexvirus | IC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Herpes simplex virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134946 | 10.1021/jm050162b | DNA polymerase catalytic subunit | 4 |
| 16134946 | 10.1021/jm050162b | HFF | 3 |
| 16134946 | 10.1021/jm050162b | Vero | 2 |
| 16134946 | 10.1021/jm050162b | DNA polymerase alpha catalytic subunit | 1 |
| 16134946 | 10.1021/jm050162b | DNA polymerase delta catalytic subunit | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Simplexvirus | 1 |
Data from ChEMBL 36 via Core Engine