Compound Detail
CHEMBL1531245
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Basic Information
| ChEMBL ID | CHEMBL1531245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOCKBSLTEWMSDN-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.3
MW (Da)
2.01
ALogP
8
HBA
1
HBD
107.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.54
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.54 | 5.54 | 2894.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.25 | 5.25 | 5620.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.21 | 5.21 | 6098.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 2894.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 5620.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
| G-protein coupled receptor 55 | IC50 | = | 6098.18 | nM | 5.21 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
Data from ChEMBL 36 via Core Engine