Compound Detail
CHEMBL71191
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Basic Information
| ChEMBL ID | CHEMBL71191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNOXYUNHIGOWNY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.31
ALogP
4
HBA
0
HBD
44.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.41 | 6.41 | 388.5 | 1 |
| Platelet-derived growth factor receptor CHEMBL2096980 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 200.0 | nM | 6.7 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Histone deacetylase 6 | IC50 | = | 388.5 | nM | 6.41 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Platelet-derived growth factor receptor | IC50 | = | 800.0 | nM | 6.1 | Inhibitory activity against platelet-derived growth factor receptor tyrosine kin... | 8667360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Calcium/calmodulin-dependent protein kinase type 1D | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
| 15857128 | 10.1021/jm0492204 | Ephrin type-B receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine