Compound Detail
CHEMBL442946
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Basic Information
| ChEMBL ID | CHEMBL442946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKDMBGLPCVWCLQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
-1.18
ALogP
10
HBA
5
HBD
202.8
PSA (Ų)
0.21
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Camelpox virus CHEMBL613332 | EC50 | 5.72 | 5.545 | 1900.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Camelpox virus | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against Camelpox virus CML1 infected in HEL299 cells assessed... | 17893157 |
| Camelpox virus | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against Camelpox virus CML14 infected in HEL299 cells assesse... | 17893157 |
| Camelpox virus | EC50 | = | 3700.0 | nM | 5.43 | Antiviral activity against Camelpox virus CML1 infected in human PHK assessed as... | 17893157 |
| Camelpox virus | EC50 | = | 4900.0 | nM | 5.31 | Antiviral activity against Camelpox virus CML14 infected in human PHK assessed a... | 17893157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17893157 | 10.1128/aac.00838-07 | ADMET | 4 |
| 17893157 | 10.1128/aac.00838-07 | Unchecked | 4 |
| 17893157 | 10.1128/aac.00838-07 | Camelpox virus | 4 |
Data from ChEMBL 36 via Core Engine