Compound Detail
CHEMBL3193915
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Basic Information
| ChEMBL ID | CHEMBL3193915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XATNJMFESTVZDB-MXAYSNPKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.11
ALogP
5
HBA
1
HBD
64.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.17
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.17 | 4.17 | 67680.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.14 | 4.14 | 72100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 67680.0 | nM | 4.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 72100.0 | nM | 4.14 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine