Compound Detail
CHEMBL1405952
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Basic Information
| ChEMBL ID | CHEMBL1405952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDNQJKAWFFVVKF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.16
ALogP
6
HBA
1
HBD
54.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.43 | 5.43 | 3730.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| X-box-binding protein 1 | IC50 | = | 160.0 | nM | 6.8 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 3730.0 | nM | 5.43 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for CHOP Gene Expression... | - |
| Unchecked | IC50 | = | 10250.0 | nM | 4.99 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for XBP1 Gene Expression... | - |
Data from ChEMBL 36 via Core Engine