Compound Detail
CHEMBL1762450
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Basic Information
| ChEMBL ID | CHEMBL1762450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYRWHSFXUFDNKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.52
ALogP
5
HBA
3
HBD
83.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.21 | 5.21 | 6210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 6210.0 | nM | 5.21 | Antiviral activity against HSV1 by plaque reduction assay | 21356589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21356589 | 10.1016/j.bmcl.2011.02.037 | Human alphaherpesvirus 1 | 1 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | Human alphaherpesvirus 2 | 1 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | RD | 1 |
Data from ChEMBL 36 via Core Engine