Compound Detail
CHEMBL1413056
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Basic Information
| ChEMBL ID | CHEMBL1413056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOXOOTKMEMJWMA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
5.57
ALogP
9
HBA
0
HBD
65.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.32 | 6.32 | 482.1 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.27 | 5.27 | 5420.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.71 | 4.71 | 19273.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 482.08 | nM | 6.32 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 5420.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Estrogen receptor beta | IC50 | = | 19273.8 | nM | 4.71 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
Data from ChEMBL 36 via Core Engine