Compound Detail
CHEMBL3219117
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
Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@H]3CCOC3)c2)n1
Basic Information
| ChEMBL ID | CHEMBL3219117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWYQJIVXRJTZNY-FQEVSTJZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.48
ALogP
7
HBA
1
HBD
94.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 70.0 | nM | 7.16 | Inhibition of recombinant human pancreatic glucokinase by G-6-P dehydrogenase as... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human ERG | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20077E | No relevant target | 2 |
| - | 10.1039/C2MD20077E | Hexokinase-4 | 1 |
| - | 10.1039/C2MD20077E | MDCK | 1 |
| - | 10.1039/C2MD20077E | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine