Compound Detail
CHEMBL2165617
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Basic Information
| ChEMBL ID | CHEMBL2165617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHSZUJCBROAKTA-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
2.94
ALogP
6
HBA
2
HBD
102.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 5.97 | 5.97 | 1080.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | 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 | = | 1080.0 | nM | 5.97 | Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophoto... | 22196621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22196621 | 10.1021/jm2014887 | Hexokinase-4 | 2 |
| 22196621 | 10.1021/jm2014887 | ADMET | 1 |
| 22196621 | 10.1021/jm2014887 | Liver microsomes | 1 |
| 22196621 | 10.1021/jm2014887 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine