Compound Detail
CHEMBL3745887
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
CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4nc(N)ccc4Cl)sc23)c1
Basic Information
| ChEMBL ID | CHEMBL3745887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVYUHSHGTJVIRH-QHCPKHFHSA-N |
3
Targets
5
Activities
3
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.1
MW (Da)
4.99
ALogP
7
HBA
3
HBD
118.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.38
EC50 1 meas. best 6.37
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucokinase regulatory protein CHEMBL1075152 | Kd | 8.38 | 8.38 | 4.2 | 1 |
| Glucokinase regulatory protein CHEMBL1075152 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Glucokinase regulatory protein CHEMBL3124733 | Kd | 7.89 | 7.89 | 13.0 | 1 |
| Glucokinase regulatory protein CHEMBL3232700 | Kd | 7.62 | 7.62 | 24.0 | 1 |
| Glucokinase regulatory protein CHEMBL3232700 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 130.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucokinase regulatory protein | Kd | = | 4.2 | nM | 8.38 | Binding affinity to human GKRP by surface plasmon resonance analysis | 26551034 |
| Glucokinase regulatory protein | IC50 | = | 6.0 | nM | 8.22 | Binding affinity to human biotinylated AviTag GKRP assessed as inhibition of pro... | 26551034 |
| Glucokinase regulatory protein | Kd | = | 13.0 | nM | 7.89 | Binding affinity to rat GKRP by surface plasmon resonance analysis | 26551034 |
| Glucokinase regulatory protein | Kd | = | 24.0 | nM | 7.62 | Binding affinity to mouse GKRP by surface plasmon resonance analysis | 26551034 |
| Glucokinase regulatory protein | EC50 | = | 430.0 | nM | 6.37 | Inhibition of glucokinase-GKRP binding interaction in mouse hepatocytes assessed... | 26551034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26551034 | 10.1021/acs.jmedchem.5b01367 | Glucokinase regulatory protein | 5 |
| 26551034 | 10.1021/acs.jmedchem.5b01367 | LLC-PK1 | 2 |
| 26551034 | 10.1021/acs.jmedchem.5b01367 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine