Compound Detail
CHEMBL1320096
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Basic Information
| ChEMBL ID | CHEMBL1320096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEOPKNOHIKFEFO-JYRVWZFOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
221.6
MW (Da)
3.19
ALogP
2
HBA
0
HBD
39.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.86 | 4.99 | 1390.0 | 2 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 5.37 | 5.37 | 4305.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.56 | 4.56 | 27600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 1390.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 4305.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 27600.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 76700.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
Data from ChEMBL 36 via Core Engine