Compound Detail
CHEMBL4532539
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CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
Basic Information
| ChEMBL ID | CHEMBL4532539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMAAXDRSHBPSDT-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.4
MW (Da)
4.47
ALogP
7
HBA
3
HBD
147.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human adenovirus 5 CHEMBL612237 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human adenovirus 5 | IC50 | = | 670.0 | nM | 6.17 | Antiviral activity against Human adenovirus 5 infected in 293beta5 cells assesse... | 32045239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Human adenovirus 5 | 2 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | A549 | 1 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine