Compound Detail
CHEMBL1631222
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Basic Information
| ChEMBL ID | CHEMBL1631222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDVOFRWTPUEFTR-MNCSTQPFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
-1.71
ALogP
8
HBA
4
HBD
121.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cowpox virus CHEMBL612672 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against Vaccinia virus Copenhagen infected in HFF assessed as... | 19029322 |
| Cowpox virus | EC50 | = | 400.0 | nM | 6.4 | Antiviral activity against Cowpox virus Brighton infected in HFF assessed as red... | 19029322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19029322 | 10.1128/aac.01257-08 | Vaccinia virus | 4 |
| 19029322 | 10.1128/aac.01257-08 | Cowpox virus | 2 |
| 19029322 | 10.1128/aac.01257-08 | HFF | 2 |
Data from ChEMBL 36 via Core Engine