Compound Detail
CHEMBL1461631
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Basic Information
| ChEMBL ID | CHEMBL1461631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEZRHPWWPXDLTL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.71
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.84 | 6.84 | 143.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 6.63 | 6.63 | 232.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.9 | 5.9 | 1253.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 143.0 | nM | 6.84 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Tumor necrosis factor | IC50 | = | 200.0 | nM | 6.7 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 232.0 | nM | 6.63 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| COUP transcription factor 2 | IC50 | = | 1253.0 | nM | 5.9 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| HEK293 | IC50 | = | 16400.0 | nM | 4.79 | PUBCHEM_BIOASSAY: SAR analysis of compounds that are cytotoxic to HEK293 revised... | - |
Data from ChEMBL 36 via Core Engine