Compound Detail
CHEMBL1162465
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Basic Information
| ChEMBL ID | CHEMBL1162465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFZLCSYICUSFJO-QHCPKHFHSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.60
ALogP
10
HBA
2
HBD
130.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cowpox virus CHEMBL612672 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Camelpox virus CHEMBL613332 | EC50 | 5.19 | 5.0425 | 6500.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | EC50 | = | 30.0 | nM | 7.52 | Antiviral activity against Vaccinia virus Lederle infected in HEL cells assessed... | 17893157 |
| Cowpox virus | EC50 | = | 30.0 | nM | 7.52 | Antiviral activity against Cowpox virus Brighton infected in HEL cells assessed ... | 17893157 |
| Camelpox virus | EC50 | = | 6500.0 | nM | 5.19 | Antiviral activity against Camelpox virus CML14 infected in HEL299 cells assesse... | 17893157 |
| Camelpox virus | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against Camelpox virus CML1 infected in HEL299 cells assessed... | 17893157 |
| Camelpox virus | EC50 | = | 10900.0 | nM | 4.96 | Antiviral activity against Camelpox virus CML14 infected in human PHK assessed a... | 17893157 |
| Camelpox virus | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against Camelpox virus CML1 infected in human PHK assessed as... | 17893157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17893157 | 10.1128/aac.00838-07 | Camelpox virus | 18 |
| 17893157 | 10.1128/aac.00838-07 | ADMET | 5 |
| 17893157 | 10.1128/aac.00838-07 | Unchecked | 4 |
| 17893157 | 10.1128/aac.00838-07 | Vaccinia virus | 1 |
| 17893157 | 10.1128/aac.00838-07 | Cowpox virus | 1 |
| 17893157 | 10.1128/aac.00838-07 | Orf virus | 1 |
Data from ChEMBL 36 via Core Engine