Compound Detail
CHEMBL1542483
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Basic Information
| ChEMBL ID | CHEMBL1542483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARRKLZLOSBNCGW-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
2.43
ALogP
5
HBA
1
HBD
96.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.31
EC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.37 | 5.37 | 4320.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.31 | 5.31 | 4927.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.24 | 5.24 | 5760.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 5.04 | 5.04 | 9140.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 4320.0 | nM | 5.37 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Signal transducer and activator of transcription 3 | IC50 | = | 4927.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (C... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 5760.0 | nM | 5.24 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 9140.0 | nM | 5.04 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 revised. (Class of... | - |
| Tumor necrosis factor | IC50 | = | 12400.0 | nM | 4.91 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
Data from ChEMBL 36 via Core Engine