Compound Detail
CHEMBL1472879
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Basic Information
| ChEMBL ID | CHEMBL1472879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSNZBZOHYHLMLH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.6
MW (Da)
2.46
ALogP
8
HBA
2
HBD
120.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.39 | 4.9867 | 4070.0 | 3 |
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.15 | 5.15 | 7084.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.62 | 4.62 | 23900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 4070.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Insulin-degrading enzyme | IC50 | = | 7084.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 15200.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 17600.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point ... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 23900.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
Data from ChEMBL 36 via Core Engine