Compound Detail
CHEMBL1727666
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 | CHEMBL1727666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWZKYHSCBNSESR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1740343 |
| Active Moiety | CHEMBL1740343 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
0.55
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.08 | 5.08 | 8310.0 | 1 |
| SUMO E1/E2 CHEMBL3137290 | IC50 | 5.03 | 5.03 | 9450.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 86100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase HKDC1 | IC50 | = | 8310.0 | nM | 5.08 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of hexokinase domain... | - |
| SUMO E1/E2 | IC50 | = | 9450.0 | nM | 5.03 | PUBCHEM_BIOASSAY: SAR analysis of SUMOylation using HTRF in an in-Vitro dose res... | - |
| Unchecked | IC50 | = | 86100.0 | nM | 4.07 | PUBCHEM_BIOASSAY: SAR analysis of Ubc13-Ubiquitination selectivity in a TR-FRET ... | - |
Data from ChEMBL 36 via Core Engine