Compound Detail
CHEMBL541418
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Basic Information
| ChEMBL ID | CHEMBL541418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEYPGOPIXVUOQM-UHFFFAOYSA-M |
| Parent Compound | CHEMBL523191 |
| Active Moiety | CHEMBL523191 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.24
ALogP
3
HBA
0
HBD
16.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 4000.0 | nM | 5.4 | 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