Compound Detail
CHEMBL460207
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Basic Information
| ChEMBL ID | CHEMBL460207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYHGDENDARPRCI-LVBQOIFPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
-0.07
ALogP
9
HBA
2
HBD
134.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Cowpox virus CHEMBL612672 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 15000.0 | nM | 4.82 | Antiviral activity against Vaccinia virus | 19112024 |
| Cowpox virus | IC50 | = | 26000.0 | nM | 4.58 | Antiviral activity against Cowpox virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Cowpox virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine