Compound Detail
CHEMBL1417890
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Basic Information
| ChEMBL ID | CHEMBL1417890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQLARZWHUNFWSC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
5.06
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.69
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 5.15 | 5.15 | 7092.1 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 4.93 | 4.93 | 11610.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.72 | 4.72 | 18864.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 7092.12 | nM | 5.15 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 11610.0 | nM | 4.93 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 18864.0 | nM | 4.72 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
Data from ChEMBL 36 via Core Engine