Compound Detail
CHEMBL1091723
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Basic Information
| ChEMBL ID | CHEMBL1091723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFXAXBWNIHNCFR-AWNIVKPZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
0.67
ALogP
7
HBA
2
HBD
137.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.94 | 5.5 | 1150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 1150.0 | nM | 5.94 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 8760.0 | nM | 5.06 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219378 | 10.1016/j.bmc.2010.02.022 | Unchecked | 8 |
| 20219378 | 10.1016/j.bmc.2010.02.022 | Escherichia coli | 2 |
| 20219378 | 10.1016/j.bmc.2010.02.022 | Yersinia pseudotuberculosis | 2 |
Data from ChEMBL 36 via Core Engine