Compound Detail
CHEMBL1329798
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Basic Information
| ChEMBL ID | CHEMBL1329798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJSMGQLUSXOBBD-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
292.7
MW (Da)
3.11
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.43
IC50 1 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 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.43 | 6.43 | 375.0 | 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)... | - |
| Heat shock factor protein 1 | EC50 | = | 375.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine