Compound Detail
CHEMBL150011
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Basic Information
| ChEMBL ID | CHEMBL150011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCHFHMQRCKRLEQ-QPJJXVBHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.03
ALogP
3
HBA
1
HBD
80.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.2
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus CHEMBL613749 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| HeLa CHEMBL399 | EC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus | Ki | = | 11.0 | nM | 7.96 | Compound was tested for the inhibitory activity of compound towards human rhinov... | 8978838 |
| HeLa | EC50 | = | 6300.0 | nM | 5.2 | Compound was tested for the antiviral activity against Human Rhinovirus -14(HRV-... | 8978838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978838 | 10.1021/jm960603e | HeLa | 2 |
| 8978838 | 10.1021/jm960603e | Enterovirus | 1 |
| 8978838 | 10.1021/jm960603e | NON-PROTEIN TARGET | 1 |
| 8978838 | 10.1021/jm960603e | Serine protease 1 | 1 |
| 8978838 | 10.1021/jm960603e | Chymotrypsinogen A | 1 |
| 8978838 | 10.1021/jm960603e | Prothrombin | 1 |
| 8978838 | 10.1021/jm960603e | Neutrophil elastase | 1 |
| 8978838 | 10.1021/jm960603e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine