Compound Detail
CHEMBL171941
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Basic Information
| ChEMBL ID | CHEMBL171941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCMOYSOSXLWXFL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
1.17
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| KB CHEMBL398 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 13000.0 | nM | 4.89 | Antiviral activity against Human Cytomegalovirus (HCMV) replication in a plaque ... | 8632411 |
| Human alphaherpesvirus 1 | IC50 | = | 35000.0 | nM | 4.46 | Antiviral activity against HSV-1 replication was evaluated by ELISA | 8632411 |
| KB | IC50 | = | 47000.0 | nM | 4.33 | Cytotoxic activity tested against exponentially growing KB cells, determined by ... | 8632411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632411 | 10.1021/jm950444j | Human betaherpesvirus 5 | 1 |
| 8632411 | 10.1021/jm950444j | Human alphaherpesvirus 1 | 1 |
| 8632411 | 10.1021/jm950444j | HFF | 1 |
| 8632411 | 10.1021/jm950444j | KB | 1 |
Data from ChEMBL 36 via Core Engine