Compound Detail
CHEMBL240167
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Basic Information
| ChEMBL ID | CHEMBL240167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIKMMMSHZOKJCA-IRUXJXNPSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
5.30
ALogP
10
HBA
1
HBD
127.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Simian virus 40 CHEMBL613051 | EC50 | 6.64 | 6.5433 | 230.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.28 | 6.2125 | 530.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simian virus 40 | EC50 | = | 230.0 | nM | 6.64 | Antiviral activity against Simian virus 40 PML1 EK in african green monkey BSC1 ... | 17420214 |
| Simian virus 40 | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Simian virus 40 A2895 in african green monkey BSC1 ce... | 17420214 |
| Simian virus 40 | EC50 | = | 340.0 | nM | 6.47 | Antiviral activity against Simian virus 40 PML2 DAR in african green monkey BSC1... | 17420214 |
| NON-PROTEIN TARGET | EC50 | = | 530.0 | nM | 6.28 | Antiviral activity against Murine polyomavirus PTA in mouse UC1B cells assessed ... | 17420214 |
| NON-PROTEIN TARGET | EC50 | = | 550.0 | nM | 6.26 | Antiviral activity against Murine polyomavirus MN/RDE Toronto in mouse UC1B cell... | 17420214 |
| NON-PROTEIN TARGET | EC50 | = | 560.0 | nM | 6.25 | Antiviral activity against Murine polyomavirus 2PTA2 in mouse UC1B cells assesse... | 17420214 |
| NON-PROTEIN TARGET | EC50 | = | 880.0 | nM | 6.06 | Antiviral activity against Murine polyomavirus LID1 ATCC VR-252 in mouse UC1B ce... | 17420214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17420214 | 10.1128/aac.01422-06 | Unchecked | 7 |
| 17420214 | 10.1128/aac.01422-06 | NON-PROTEIN TARGET | 6 |
| 17948980 | 10.1021/jm0707166 | HEL | 4 |
| 17948980 | 10.1021/jm0707166 | NON-PROTEIN TARGET | 4 |
| 17420214 | 10.1128/aac.01422-06 | Simian virus 40 | 4 |
| 17948980 | 10.1021/jm0707166 | Human alphaherpesvirus 2 | 2 |
| 17420214 | 10.1128/aac.01422-06 | ADMET | 2 |
| 19914075 | 10.1016/j.bmc.2009.10.044 | CCRF-CEM | 2 |
| 19914075 | 10.1016/j.bmc.2009.10.044 | HEL | 2 |
| 17948980 | 10.1021/jm0707166 | Coxsackievirus B4 | 2 |
| 17948980 | 10.1021/jm0707166 | Vesicular stomatitis virus | 2 |
| 19914075 | 10.1016/j.bmc.2009.10.044 | Vero | 2 |
| 17948980 | 10.1021/jm0707166 | Human betaherpesvirus 5 | 2 |
| 17948980 | 10.1021/jm0707166 | Human alphaherpesvirus 3 | 2 |
| 17948980 | 10.1021/jm0707166 | Human immunodeficiency virus 2 | 1 |
| 17948980 | 10.1021/jm0707166 | MOLT-3 | 1 |
| 17948980 | 10.1021/jm0707166 | Respiratory syncytial virus | 1 |
| 17948980 | 10.1021/jm0707166 | Vaccinia virus | 1 |
| 17948980 | 10.1021/jm0707166 | HeLa | 1 |
| 17948980 | 10.1021/jm0707166 | Punta Toro virus | 1 |
Data from ChEMBL 36 via Core Engine