Compound Detail
CHEMBL3189845
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Basic Information
| ChEMBL ID | CHEMBL3189845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZVDBDZUJDCBSC-LICLKQGHSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
2.71
ALogP
6
HBA
1
HBD
56.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.4
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.4 | 6.37 | 401.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.16 | 6.16 | 695.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 6.0 | 5.425 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 401.0 | nM | 6.4 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | EC50 | = | 457.0 | nM | 6.34 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 695.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| SUMO-activating enzyme | IC50 | = | 1000.0 | nM | 6.0 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 14180.0 | nM | 4.85 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine