Compound Detail
CHEMBL4091614
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Basic Information
| ChEMBL ID | CHEMBL4091614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKTNZSMCEKYZQE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.74
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B3 CHEMBL613554 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B3 | EC50 | = | 3100.0 | nM | 5.51 | Antiviral activity against Coxsackievirus B3 infected in human HeLa-RW cells ass... | 29346733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Unchecked | 2 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Enterovirus A71 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Coxsackievirus B3 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Poliovirus 1 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | Poliovirus 3 | 1 |
| 29346733 | 10.1021/acs.jmedchem.7b01863 | LLC-MK2 | 1 |
Data from ChEMBL 36 via Core Engine