Compound Detail
CHEMBL1425837
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Basic Information
| ChEMBL ID | CHEMBL1425837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKZCTBBXICGXRB-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.3
MW (Da)
3.78
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.58 | 4.905 | 2620.0 | 2 |
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.34 | 5.34 | 4536.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.25 | 5.25 | 5650.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.76 | 4.76 | 17538.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.31 | 4.31 | 49200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 2620.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Insulin-degrading enzyme | IC50 | = | 4536.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 5650.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Unchecked | IC50 | = | 17538.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 49200.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 58500.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
Data from ChEMBL 36 via Core Engine