Compound Detail
CHEMBL1162463
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Basic Information
| ChEMBL ID | CHEMBL1162463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAFIEGCYWSJUAD-LWOQYNTDSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
-1.22
ALogP
8
HBA
4
HBD
143.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Camelpox virus CHEMBL613332 | EC50 | 5.28 | 4.9825 | 5200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Camelpox virus | EC50 | = | 5200.0 | nM | 5.28 | Antiviral activity against Camelpox virus CML1 infected in HEL299 cells assessed... | 17893157 |
| Camelpox virus | EC50 | = | 7600.0 | nM | 5.12 | Antiviral activity against Camelpox virus CML14 infected in HEL299 cells assesse... | 17893157 |
| Camelpox virus | EC50 | = | 16100.0 | nM | 4.79 | Antiviral activity against Camelpox virus CML1 infected in human PHK assessed as... | 17893157 |
| Camelpox virus | EC50 | = | 18400.0 | nM | 4.74 | 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