Compound Detail
CHEMBL1898204
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Basic Information
| ChEMBL ID | CHEMBL1898204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZRSNJXOHYRQSB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.9
MW (Da)
4.76
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 4.46 | 4.46 | 34800.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.32 | 4.32 | 47500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 2 | IC50 | = | 34800.0 | nM | 4.46 | Antiviral activity against Herpes simplex virus 2 | 36961984 |
| Vaccinia virus | IC50 | = | 47500.0 | nM | 4.32 | Antiviral activity against Vaccinia virus infected in human HFF cells | 36961984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23562057 | 10.1016/j.bmcl.2013.03.035 | NON-PROTEIN TARGET | 2 |
| 23562057 | 10.1016/j.bmcl.2013.03.035 | HCT-116 | 2 |
| 23562057 | 10.1016/j.bmcl.2013.03.035 | ADMET | 1 |
| 36961984 | 10.1021/acs.jmedchem.3c00069 | Vaccinia virus | 1 |
| 36961984 | 10.1021/acs.jmedchem.3c00069 | Human alphaherpesvirus 2 | 1 |
Data from ChEMBL 36 via Core Engine