Compound Detail
CHEMBL1423417
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Basic Information
| ChEMBL ID | CHEMBL1423417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKCTWSPTFNMSQW-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
266.4
MW (Da)
3.73
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.39
IC50 1 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.59 | 7.59 | 25.4 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.34 | 4.34 | 45160.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 CHEMBL2095161 | EC50 | 4.25 | 4.25 | 56640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 25.41 | nM | 7.59 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 41000.0 | nM | 4.39 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 45160.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 | EC50 | = | 56640.0 | nM | 4.25 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
Data from ChEMBL 36 via Core Engine