Compound Detail
CHEMBL1701533
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Basic Information
| ChEMBL ID | CHEMBL1701533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKVSOKYEBQAXKF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
1.29
ALogP
4
HBA
3
HBD
89.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.76 | 5.76 | 1720.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.53 | 4.845 | 2954.0 | 4 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 1720.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | IC50 | = | 2954.0 | nM | 5.53 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 16209.0 | nM | 4.79 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Unchecked | IC50 | = | 26889.0 | nM | 4.57 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 32100.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| Unchecked | IC50 | = | 32155.0 | nM | 4.49 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
Data from ChEMBL 36 via Core Engine