Compound Detail
CHEMBL1451348
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Basic Information
| ChEMBL ID | CHEMBL1451348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBJCEGNCJRXDCS-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
4.50
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.59
EC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.67 | 5.67 | 2158.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.59 | 5.4 | 2574.0 | 3 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.32 | 5.32 | 4740.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 2158.0 | nM | 5.67 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 2574.0 | nM | 5.59 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 2679.0 | nM | 5.57 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| X-box-binding protein 1 | IC50 | = | 4740.0 | nM | 5.32 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| HEK293 | IC50 | = | 9131.24 | nM | 5.04 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 15000.0 | nM | 4.82 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine