Compound Detail
CHEMBL1342645
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Basic Information
| ChEMBL ID | CHEMBL1342645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLIHBRGJBGRMPH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
2.59
ALogP
2
HBA
0
HBD
9.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Kd 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor CHEMBL2176846 | Kd | 8.92 | 8.92 | 1.2 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.51 | 5.46 | 3063.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor | Kd | = | 1.2 | nM | 8.92 | High-Throughput Screening Assay: Day 1Step 1. Add 50 μl anti-mDial (1:160 diluti... | - |
| Estrogen receptor beta | IC50 | = | 3063.64 | nM | 5.51 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor beta | IC50 | = | 3905.74 | nM | 5.41 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
Data from ChEMBL 36 via Core Engine