Compound Detail
CHEMBL456295
OXOPURPUREINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL456295 |
| Name | OXOPURPUREINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZTLZBDEFBJZQG-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.49
ALogP
7
HBA
0
HBD
76.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.21
EC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.32 | 5.32 | 4831.0 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.21 | 5.21 | 6152.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.0 | 4.96 | 10100.0 | 2 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.54 | 4.54 | 28614.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 4831.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 6152.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Hexokinase HKDC1 | IC50 | = | 10100.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Hexokinase HKDC1 | IC50 | = | 12100.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| RNA-binding protein pos-1 | EC50 | = | 28614.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9868142 | 10.1021/np9800046 | Platelet | 4 |
Data from ChEMBL 36 via Core Engine