Compound Detail
CHEMBL2165619
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
Basic Information
| ChEMBL ID | CHEMBL2165619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLFQGVRGNGPZNM-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.37
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 6.94 | 6.94 | 114.0 | 1 |
| Hexokinase-4 CHEMBL3882 | EC50 | 6.82 | 6.82 | 153.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 120.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 114.0 | nM | 6.94 | Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophoto... | 22196621 |
| Hexokinase-4 | EC50 | = | 153.0 | nM | 6.82 | Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-... | 22196621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22196621 | 10.1021/jm2014887 | Hexokinase-4 | 3 |
| 22196621 | 10.1021/jm2014887 | No relevant target | 1 |
| 22196621 | 10.1021/jm2014887 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 22196621 | 10.1021/jm2014887 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 22196621 | 10.1021/jm2014887 | ADMET | 1 |
| 22196621 | 10.1021/jm2014887 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine