Compound Detail
CHEMBL523375
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Basic Information
| ChEMBL ID | CHEMBL523375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZVKFJBGMUZJMD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.0
MW (Da)
5.21
ALogP
5
HBA
0
HBD
49.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
EC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.91 | 6.91 | 123.0 | 1 |
| DNA polymerase CHEMBL3988586 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 123.0 | nM | 6.91 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Vaccinia virus | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| DNA polymerase | IC50 | = | 10000.0 | nM | 5.0 | 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