Compound Detail
CHEMBL1452159
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Basic Information
| ChEMBL ID | CHEMBL1452159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMRCYZLRSDSGMN-SSZFMOIBSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.01
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.8
EC50 1 meas. best 5.82
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 |
| Unchecked CHEMBL612545 | IC50 | 6.43 | 5.68 | 370.0 | 3 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 4.75 | 4.75 | 17786.0 | 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)... | - |
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 420.0 | nM | 6.38 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 760.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Heat shock factor protein 1 | EC50 | = | 1510.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 17786.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
| Unchecked | IC50 | = | 32100.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine