Compound Detail
CHEMBL523359
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Basic Information
| ChEMBL ID | CHEMBL523359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGCPHTXCNKUKRK-HEHNFIMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
4.22
ALogP
3
HBA
0
HBD
28.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase CHEMBL3988586 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| DNA polymerase | IC50 | = | 6700.0 | nM | 5.17 | Inhibition Assay: A rapid plate DNA synthesis assay was performed using optimize... | - |
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