Compound Detail
CHEMBL1504655
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Basic Information
| ChEMBL ID | CHEMBL1504655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZQNWEPGEWPUHA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.85
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 6.11 | 6.11 | 783.4 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.35 | 5.28 | 4481.7 | 2 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.33 | 4.33 | 46910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 783.41 | nM | 6.11 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| Estrogen receptor beta | IC50 | = | 4481.73 | nM | 5.35 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Estrogen receptor beta | IC50 | = | 6102.26 | nM | 5.21 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Bifunctional protein GlmU | IC50 | = | 46910.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine