Compound Detail
CHEMBL1613090
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Basic Information
| ChEMBL ID | CHEMBL1613090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRSGMNRMRKEVOZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
3.03
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.34
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.17 | 6.17 | 676.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.34 | 5.34 | 4607.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 676.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Heat shock factor protein 1 | EC50 | = | 4607.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine