Compound Detail
CHEMBL493691
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 | CHEMBL493691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNJKNADHWJKYGZ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.60
ALogP
3
HBA
3
HBD
87.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.85
IC50 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.85 | 6.85 | 142.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.17 | 4.17 | 67980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 142.0 | nM | 6.85 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Vaccinia virus | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| Vaccinia virus | EC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against Vaccinia virus WR in BSC1 cells assessed as reduction... | 18808105 |
| Unchecked | IC50 | = | 67980.0 | nM | 4.17 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 2 |
| 18808105 | 10.1021/jm800366g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine