Compound Detail
CHEMBL4208286
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
Cn1cc(-c2ccc(C[C@H](O)c3ccc(-n4cncn4)cc3)c([N+](=O)[O-])c2)cn1
Basic Information
| ChEMBL ID | CHEMBL4208286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKAISUQVURBGLZ-FQEVSTJZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.85
ALogP
8
HBA
1
HBD
111.9
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 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| VP1 capsid protein CHEMBL3833484 | EC50 | 7.3 | 7.26 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| VP1 capsid protein | EC50 | = | 50.0 | nM | 7.3 | Inhibition of Rhinovirus B70 capsid infected in human HeLa Rh cells assessed as ... | 30153009 |
| VP1 capsid protein | EC50 | = | 60.0 | nM | 7.22 | 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 | 9 |
| 30153009 | 10.1021/acs.jmedchem.8b00931 | Unchecked | 2 |
| 30153009 | 10.1021/acs.jmedchem.8b00931 | rhinovirus B14 | 2 |
| 30153009 | 10.1021/acs.jmedchem.8b00931 | CHO-K1 | 2 |
Data from ChEMBL 36 via Core Engine