Compound Detail
CHEMBL68500
ALLOXAZINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL68500 |
| Name | ALLOXAZINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAUGRYOERYOXHX-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
0.16
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.83
Ki 2 meas. best 8.42
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.03 | 6.03 | 935.0 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.83 | 5.83 | 1471.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 4.91 | 4.91 | 12395.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.45 | 4.45 | 35800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 3.8 | nM | 8.42 | Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells ... | 16250647 |
| Adenosine receptor A2a | Ki | = | 935.0 | nM | 6.03 | Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells ... | 16250647 |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 1471.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Protein Rev | IC50 | = | 12395.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 35800.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.1039/C3MD00149K | NON-PROTEIN TARGET | 4 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 4 |
| - | 10.6019/CHEMBL5058564 | U2OS | 3 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 3 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine