Compound Detail
CHEMBL3764630
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
COC(=O)/C=C/c1cnc2[nH]c(/C(=C/C3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL3764630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CROAZWRROYRSMA-KEPXNORLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.0
MW (Da)
5.43
ALogP
5
HBA
1
HBD
89.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 6.83 | 6.83 | 148.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 148.0 | nM | 6.83 | Activation of recombinant human glucokinase assessed as NADPH formation using gl... | 26685731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26685731 | 10.1021/acs.jmedchem.5b01594 | Hexokinase-4 | 3 |
Data from ChEMBL 36 via Core Engine