Compound Detail
CHEMBL532504
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Basic Information
| ChEMBL ID | CHEMBL532504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUXGPKHPAUIQQQ-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
1.56
ALogP
8
HBA
2
HBD
77.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.92
IC50 3 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDM2-MDMX CHEMBL4106123 | IC50 | 5.41 | 5.41 | 3920.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.25 | 5.055 | 5590.0 | 2 |
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 4.92 | 4.92 | 12097.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.86 | 4.86 | 13860.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 4.46 | 4.46 | 34300.0 | 1 |
| HT-1080 CHEMBL614580 | EC50 | 4.29 | 4.29 | 51500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDM2-MDMX | IC50 | = | 3920.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| Unchecked | IC50 | = | 5590.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| Aryl hydrocarbon receptor | EC50 | = | 12097.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 13860.0 | nM | 4.86 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 13781.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| Nucleic Acid | EC50 | = | 34300.0 | nM | 4.46 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| HT-1080 | EC50 | = | 51500.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HT1080 cell... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine