Compound Detail
CHEMBL1562575
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Basic Information
| ChEMBL ID | CHEMBL1562575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJGJEVXIKXIDEQ-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.88
ALogP
6
HBA
0
HBD
90.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.47
EC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.82 | 7.7667 | 15.0 | 3 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.09 | 6.09 | 816.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.5 | 31777.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 15.0 | nM | 7.82 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 16.0 | nM | 7.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | EC50 | = | 21.0 | nM | 7.68 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 340.0 | nM | 6.47 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| X-box-binding protein 1 | IC50 | = | 370.0 | nM | 6.43 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 816.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
| Unchecked | IC50 | = | 31777.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for HSP90 inhibitors: d... | - |
Data from ChEMBL 36 via Core Engine