Compound Detail
CHEMBL265719
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Basic Information
| ChEMBL ID | CHEMBL265719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDORNFBUOMQVCA-RXMQYKEDSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.2
MW (Da)
-1.47
ALogP
8
HBA
5
HBD
174.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.09 | 4.965 | 8200.0 | 4 |
| Simian virus 40 CHEMBL613051 | EC50 | 4.14 | 4.14 | 72800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 8200.0 | nM | 5.09 | Antiviral activity against Murine polyomavirus LID1 ATCC VR-252 in mouse UC1B ce... | 17420214 |
| NON-PROTEIN TARGET | EC50 | = | 10900.0 | nM | 4.96 | Antiviral activity against Murine polyomavirus PTA in mouse UC1B cells assessed ... | 17420214 |
| NON-PROTEIN TARGET | EC50 | = | 11200.0 | nM | 4.95 | Antiviral activity against Murine polyomavirus MN/RDE Toronto in mouse UC1B cell... | 17420214 |
| NON-PROTEIN TARGET | EC50 | = | 13900.0 | nM | 4.86 | Antiviral activity against Murine polyomavirus 2PTA2 in mouse UC1B cells assesse... | 17420214 |
| Simian virus 40 | EC50 | = | 72800.0 | nM | 4.14 | Antiviral activity against Simian virus 40 A2895 in african green monkey BSC1 ce... | 17420214 |
| Simian virus 40 | EC50 | = | 73100.0 | nM | 4.14 | Antiviral activity against Simian virus 40 PML1 EK in african green monkey BSC1 ... | 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 | 4 |
| 17420214 | 10.1128/aac.01422-06 | Simian virus 40 | 3 |
| 17420214 | 10.1128/aac.01422-06 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine