Compound Detail
CHEMBL1391547
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Basic Information
| ChEMBL ID | CHEMBL1391547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTKRLZDSHXZXNP-IIYDPXPESA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
3.61
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.34
IC50 3 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.34 | 5.34 | 4605.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.02 | 5.02 | 9532.9 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 4.75 | 4.75 | 17720.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.51 | 4.51 | 31122.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.27 | 4.27 | 53350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-binding protein pos-1 | EC50 | = | 4605.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Estrogen receptor | IC50 | = | 9532.91 | nM | 5.02 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of GST-tagged recombinant PLK1 (unknown origin) using 5-carboxyfluore... | 37874947 |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 17720.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Zinc finger protein mex-5 | EC50 | = | 31122.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 53350.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine