Compound Detail
CHEMBL4439945
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
Basic Information
| ChEMBL ID | CHEMBL4439945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIVKOLSIEKHGIO-INIZCTEOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
4.00
ALogP
5
HBA
3
HBD
121.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human adenovirus 5 CHEMBL612237 | IC50 | 6.35 | 5.8833 | 450.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human adenovirus 5 | IC50 | = | 450.0 | nM | 6.35 | Antiviral activity against Human adenovirus 5 infected in 293beta5 cells assesse... | 32045239 |
| Human adenovirus 5 | IC50 | = | 450.0 | nM | 6.35 | Antiviral activity against GFP-fused Human adenovirus 5 infected in 293beta5 cel... | 33112138 |
| Human adenovirus 5 | IC50 | = | 11200.0 | nM | 4.95 | Antiviral activity against Human adenovirus 5 infected in human A549 cells asses... | 32045239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Human adenovirus 5 | 8 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | A549 | 1 |
| 32045239 | 10.1021/acs.jmedchem.9b01950 | Unchecked | 1 |
| 33112138 | 10.1021/acs.jmedchem.0c01226 | ADMET | 1 |
| 33112138 | 10.1021/acs.jmedchem.0c01226 | Human adenovirus 5 | 1 |
| 33112138 | 10.1021/acs.jmedchem.0c01226 | A549 | 1 |
| 33112138 | 10.1021/acs.jmedchem.0c01226 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine