Compound Detail
CHEMBL1455507
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Basic Information
| ChEMBL ID | CHEMBL1455507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXWVRXIPVNFSIR-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.7
MW (Da)
4.46
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.66
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.66 | 5.66 | 2201.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.47 | 5.385 | 3418.5 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.11 | 5.11 | 7817.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 2201.0 | nM | 5.66 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 3418.5 | nM | 5.47 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 5033.0 | nM | 5.3 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Heat shock factor protein 1 | EC50 | = | 7817.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine