Compound Detail
CHEMBL1308276
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Basic Information
| ChEMBL ID | CHEMBL1308276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMOUYBCDJMEUFG-DUXPYHPUSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.1
MW (Da)
4.68
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.76
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.76 | 5.76 | 1740.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 5.43 | 5.43 | 3750.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.42 | 5.42 | 3830.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.23 | 5.0867 | 5897.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 1740.0 | nM | 5.76 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Tumor necrosis factor | IC50 | = | 3750.0 | nM | 5.43 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
| HEK293 | EC50 | = | 3830.0 | nM | 5.42 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 5897.0 | nM | 5.23 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 7723.5 | nM | 5.11 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: SAR analysis of compounds that are cytotoxic to HEK293 revised... | - |
Data from ChEMBL 36 via Core Engine