Compound Detail
CHEMBL1392142
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Basic Information
| ChEMBL ID | CHEMBL1392142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQDRBDTZCCIKFT-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.96
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.54
EC50 3 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.99 | 6.8767 | 102.0 | 3 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 6.54 | 6.54 | 285.0 | 1 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 6.25 | 6.25 | 563.1 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.21 | 5.21 | 6120.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.06 | 5.06 | 8670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 102.0 | nM | 6.99 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 146.0 | nM | 6.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 159.0 | nM | 6.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 285.0 | nM | 6.54 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Krueppel-like factor 5 | IC50 | = | 563.13 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 6120.0 | nM | 5.21 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for CHOP Gene Expression... | - |
| Unchecked | IC50 | = | 8670.0 | nM | 5.06 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for XBP1 Gene Expression... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine