Compound Detail
CHEMBL1420393
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Basic Information
| ChEMBL ID | CHEMBL1420393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYEZXHFIAHYAAP-CMDGGOBGSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.30
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.5
EC50 2 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.79 | 5.79 | 1620.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 5.78 | 5.78 | 1680.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.01 | 3200.0 | 3 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.3 | 5.3 | 5040.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.27 | 5.27 | 5360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 1620.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 1680.0 | nM | 5.78 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
| Unchecked | IC50 | = | 3200.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| X-box-binding protein 1 | IC50 | = | 5040.0 | nM | 5.3 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 5360.0 | nM | 5.27 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 5790.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 51300.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
Data from ChEMBL 36 via Core Engine