Compound Detail
CHEMBL56723
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Basic Information
| ChEMBL ID | CHEMBL56723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCSATFXTZGNTPK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
154.2
MW (Da)
-0.17
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | IC50 | = | 0.3247 | nM | 9.49 | Antiviral activity against Varicella zoster virus | 19112024 |
| Human alphaherpesvirus 1 | IC50 | = | 2.597 | nM | 8.59 | Antiviral activity against Herpes simplex virus 1 | 19112024 |
| Human alphaherpesvirus 2 | IC50 | = | 2.597 | nM | 8.59 | Antiviral activity against Herpes simplex virus 2 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960502 | 10.1021/jm011095y | E6SM | 3 |
| 11960502 | 10.1021/jm011095y | HEL | 3 |
| 11960502 | 10.1021/jm011095y | CCRF-CEM | 2 |
| 11960502 | 10.1021/jm011095y | Human alphaherpesvirus 3 | 1 |
| 11960502 | 10.1021/jm011095y | Moloney murine sarcoma virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine