Compound Detail
CHEMBL524172
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL524172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNAVPEPPAVHHKN-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
4.75
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.12
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase CHEMBL3988586 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| DNA polymerase | IC50 | = | 26000.0 | nM | 4.58 | Inhibition Assay: A rapid plate DNA synthesis assay was performed using optimize... | - |
| Vaccinia virus | EC50 | = | 75000.0 | nM | 4.12 | Antiviral activity against Vaccinia virus WR in BSC1 cells assessed as reduction... | 18808105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 4 |
| 18808105 | 10.1021/jm800366g | ADMET | 3 |
| 18808105 | 10.1021/jm800366g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine