Compound Detail
CHEMBL1352854
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Basic Information
| ChEMBL ID | CHEMBL1352854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBWGQKWZPBWBAO-ZRDIBKRKSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.65
ALogP
3
HBA
0
HBD
17.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.94
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.94 | 6.3067 | 116.0 | 3 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.5 | 5.5 | 3130.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 116.0 | nM | 6.94 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 238.0 | nM | 6.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| X-box-binding protein 1 | IC50 | = | 3130.0 | nM | 5.5 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Unchecked | EC50 | = | 4359.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 4380.0 | nM | 5.36 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
Data from ChEMBL 36 via Core Engine