Compound Detail
CHEMBL4203308
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Cn1cc(-c2ccc(C[C@@H](O)c3ccc(-n4cccn4)cc3)c([N+](=O)[O-])c2)cn1
Basic Information
| ChEMBL ID | CHEMBL4203308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZPKWRMAZWAGJN-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.46
ALogP
7
HBA
1
HBD
99.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| VP1 capsid protein CHEMBL3833484 | EC50 | 6.72 | 6.16 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| VP1 capsid protein | EC50 | = | 190.0 | nM | 6.72 | Inhibition of Rhinovirus A89 capsid infected in human HeLa Rh cells assessed as ... | 30153009 |
| VP1 capsid protein | EC50 | = | 2500.0 | nM | 5.6 | Inhibition of Rhinovirus B14 capsid infected in human HeLa Rh cells assessed as ... | 30153009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30153009 | 10.1021/acs.jmedchem.8b00931 | VP1 capsid protein | 8 |
| 30153009 | 10.1021/acs.jmedchem.8b00931 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine