Compound Detail
CHEMBL487297
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Basic Information
| ChEMBL ID | CHEMBL487297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMMRNEAGFOALKT-SANMLTNESA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
599.8
MW (Da)
6.22
ALogP
10
HBA
3
HBD
154.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | EC50 | 8.0 | 7.5 | 10.0 | 2 |
| Cowpox virus CHEMBL612672 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| BK polyomavirus CHEMBL4888480 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 7.12 | 7.12 | 76.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.16 | 6.02 | 690.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Vaccinia virus Copenhagen in HFF cells assessed as re... | 17846137 |
| Cowpox virus | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against Cowpox virus Brighton in HFF cells assessed as reduct... | 17846137 |
| BK polyomavirus | EC50 | = | 30.0 | nM | 7.52 | Antimicrobial activity against BK polyomavirus ATCC VR837 infected in human WI38... | 18285481 |
| Hepatitis B virus | EC50 | = | 76.0 | nM | 7.12 | Antiviral activity against HBV infected in human HepG2(2.2.15) cells assessed as... | 19398648 |
| Vaccinia virus | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against Vaccinia virus WR in HFF cells assessed as reduction ... | 17846137 |
| Hepatitis C virus | EC50 | = | 690.0 | nM | 6.16 | Antiviral activity against HCV2A SGR-JFH-1 infected in human Huh7.5 cells assess... | 19289518 |
| Hepatitis C virus | EC50 | = | 1310.0 | nM | 5.88 | Antiviral activity against HCV1B BM4-5 infected in human Huh7.5 cells assessed a... | 19289518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17846137 | 10.1128/aac.00184-07 | Cowpox virus | 25 |
| 17846137 | 10.1128/aac.00184-07 | Vaccinia virus | 23 |
| 19704122 | 10.1128/aac.00840-09 | Schistosoma mansoni | 7 |
| 19398648 | 10.1128/aac.00114-09 | Hepatitis B virus | 4 |
| 17846137 | 10.1128/aac.00184-07 | Unchecked | 3 |
| 19289518 | 10.1128/aac.01546-08 | Hepatitis C virus | 2 |
| 19289518 | 10.1128/aac.01546-08 | Unchecked | 2 |
| 17846137 | 10.1128/aac.00184-07 | HFF | 1 |
| 17846137 | 10.1128/aac.00184-07 | Mus musculus | 1 |
| 18285481 | 10.1128/aac.01241-07 | BK polyomavirus | 1 |
| 18285481 | 10.1128/aac.01241-07 | ADMET | 1 |
| 18285481 | 10.1128/aac.01241-07 | Unchecked | 1 |
| 19289518 | 10.1128/aac.01546-08 | ADMET | 1 |
| 19398648 | 10.1128/aac.00114-09 | ADMET | 1 |
| 19398648 | 10.1128/aac.00114-09 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine