Compound Detail
CHEMBL522832
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Basic Information
| ChEMBL ID | CHEMBL522832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRFKXKZJRZEGFR-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.0
MW (Da)
5.06
ALogP
6
HBA
1
HBD
41.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.82
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | EC50 | 4.82 | 4.585 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | EC50 | = | 15000.0 | nM | 4.82 | Antiviral activity against Vaccinia virus WR in BSC1 cells assessed as reduction... | 18808105 |
| Vaccinia virus | EC50 | = | 45000.0 | nM | 4.35 | Antiviral activity against Vaccinia virus WR in BSC1 cells assessed as protectio... | 18808105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 4 |
| 18808105 | 10.1021/jm800366g | ADMET | 2 |
| 18808105 | 10.1021/jm800366g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine