Compound Detail
CHEMBL2313084
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Basic Information
| ChEMBL ID | CHEMBL2313084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTYRVIWHEZBYLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.7
MW (Da)
3.35
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human adenovirus 5 CHEMBL612237 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human adenovirus 5 | IC50 | = | 310.0 | nM | 6.51 | Antiviral activity against Human adenovirus 5 infected in 293beta5 cells assesse... | 32045239 |
| ADMET | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity against mouse macrophage cell line J774.1 (ATCC TIB-67) for 3 days ... | 23211970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Human adenovirus 5 | 2 |
| 23211970 | 10.1016/j.bmc.2012.10.056 | ADMET | 1 |
| 23211970 | 10.1016/j.bmc.2012.10.056 | Mycobacterium tuberculosis | 1 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | A549 | 1 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine