Compound Detail
CHEMBL247130
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Basic Information
| ChEMBL ID | CHEMBL247130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFKIMGPJOCQJHM-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
3.01
ALogP
5
HBA
2
HBD
74.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.015 | 770.0 | 2 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL3414 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.26 | 5.26 | 5530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | Inhibition of VZV DNA polymerase by scintillation proximity assay | 17434304 |
| Human alphaherpesvirus 3 | IC50 | = | 770.0 | nM | 6.11 | Antiviral activity against VZV Webster in HFF cells by plaque reduction assay | 17434304 |
| Human betaherpesvirus 5 | IC50 | = | 800.0 | nM | 6.1 | Antiviral activity against HCMV Davis in HFF cells by plaque reduction assay | 17434304 |
| DNA polymerase catalytic subunit | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of HCMV DNA polymerase by scintillation proximity assay | 17434304 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of HSV1 DNA polymerase by scintillation proximity assay | 17434304 |
| Human alphaherpesvirus 1 | IC50 | = | 5530.0 | nM | 5.26 | Antiviral activity against HSV1 KOS in Vero cells by plaque reduction assay | 17434304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434304 | 10.1016/j.bmcl.2007.03.102 | Unchecked | 5 |
| 17434304 | 10.1016/j.bmcl.2007.03.102 | DNA polymerase catalytic subunit | 1 |
| 17434304 | 10.1016/j.bmcl.2007.03.102 | Human betaherpesvirus 5 | 1 |
| 17434304 | 10.1016/j.bmcl.2007.03.102 | Human alphaherpesvirus 1 | 1 |
| 17434304 | 10.1016/j.bmcl.2007.03.102 | Human alphaherpesvirus 3 | 1 |
| 17434304 | 10.1016/j.bmcl.2007.03.102 | HFF | 1 |
Data from ChEMBL 36 via Core Engine