Compound Detail
CHEMBL1372651
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 | CHEMBL1372651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOMSUXVZNARWCB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1618646 |
| Active Moiety | CHEMBL1618646 |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
1.20
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.28
EC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.28 | 5.075 | 5250.0 | 2 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.17 | 5.055 | 6750.0 | 2 |
| Protein RecA CHEMBL1741171 | EC50 | 4.98 | 4.98 | 10500.0 | 1 |
| SUMO E1/E2 CHEMBL3137290 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 98500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 5250.0 | nM | 5.28 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Hexokinase HKDC1 | IC50 | = | 6750.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Protein RecA | EC50 | = | 10500.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Hexokinase HKDC1 | IC50 | = | 11500.0 | nM | 4.94 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of hexokinase domain... | - |
| SUMO E1/E2 | IC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: SAR analysis of SUMOylation using HTRF in an in-Vitro dose res... | - |
| SUMO-activating enzyme | IC50 | = | 13440.0 | nM | 4.87 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Unchecked | IC50 | = | 98500.0 | nM | 4.01 | PUBCHEM_BIOASSAY: SAR analysis of Ubc13-Ubiquitination selectivity in a TR-FRET ... | - |
Data from ChEMBL 36 via Core Engine