Compound Detail
CHEMBL1418568
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Basic Information
| ChEMBL ID | CHEMBL1418568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQGLTHUNTQAGSK-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
2.93
ALogP
7
HBA
0
HBD
56.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.89
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.2 | 6.2 | 629.5 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.89 | 5.89 | 1290.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.38 | 5.38 | 4179.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.29 | 5.29 | 5111.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 5.035 | 8569.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 629.55 | nM | 6.2 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Protein RecA | EC50 | = | 1290.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Zinc finger protein mex-5 | EC50 | = | 4179.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 5111.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | EC50 | = | 8569.0 | nM | 5.07 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 10085.0 | nM | 5.0 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine