Compound Detail
CHEMBL3189193
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Basic Information
| ChEMBL ID | CHEMBL3189193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODYAWFDSDTWYKZ-OEAKJJBVSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.45
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.92
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.92 | 5.92 | 1204.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.755 | 1568.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.72 | 5.15 | 1910.0 | 3 |
| MDM2-MDMX CHEMBL4106123 | IC50 | 5.57 | 5.57 | 2680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1204.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 1568.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| Unchecked | EC50 | = | 1910.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | IC50 | = | 1970.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| MDM2-MDMX | IC50 | = | 2680.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| Unchecked | EC50 | = | 3110.0 | nM | 5.51 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 60084.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine