Compound Detail
CHEMBL1997928
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CCOC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2-c2ccc(C(=O)OCC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1997928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RORAQVXURFUIFD-IZHYLOQSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
3.27
ALogP
10
HBA
0
HBD
113.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.46 | 5.46 | 3424.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 3424.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine