Compound Detail
CHEMBL445774
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Basic Information
| ChEMBL ID | CHEMBL445774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBEGQAUKLIRYJY-QOVZSLTQSA-N |
| Parent Compound | CHEMBL561169 |
| Active Moiety | CHEMBL561169 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
1.42
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 3 |
| 18808105 | 10.1021/jm800366g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine