Compound Detail
CHEMBL1380232
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Basic Information
| ChEMBL ID | CHEMBL1380232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDTQUASSWSNUPV-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
3.59
ALogP
4
HBA
1
HBD
71.4
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 5.47
IC50 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 5.47 | 5.47 | 3373.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 5.42 | 5.42 | 3802.0 | 1 |
| Plectin CHEMBL1293240 | IC50 | 5.19 | 4.775 | 6447.8 | 2 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 CHEMBL2095161 | EC50 | 5.07 | 5.07 | 8509.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 3373.0 | nM | 5.47 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 3802.0 | nM | 5.42 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Plectin | IC50 | = | 6447.78 | nM | 5.19 | PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1.... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 | EC50 | = | 8509.0 | nM | 5.07 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Ephrin type-A receptor 4 | IC50 | = | 15800.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
| Plectin | IC50 | = | 43698.85 | nM | 4.36 | PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory... | - |
Data from ChEMBL 36 via Core Engine