Compound Detail
CHEMBL1330510
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Basic Information
| ChEMBL ID | CHEMBL1330510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDYZMMHMDBXELV-CSKARUKUSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.79
ALogP
6
HBA
3
HBD
87.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.01
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.01 | 4.97 | 9840.0 | 4 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 4.92 | 4.83 | 12060.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9840.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | EC50 | = | 10400.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| SUMO-activating enzyme | IC50 | = | 12060.0 | nM | 4.92 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 18020.0 | nM | 4.74 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine