HYPOXANTHINE
ID: CHEMBL1427
Name: HYPOXANTHINE
Max Phase:
Preclinical
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Molecular Formula: C5H4N4O
Molecular Weight: 136.11
Molecule Type: Small molecule
Synonyms and Trade Names:
Hypoxanthine
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL1427
Bioactivity Summary
Total
44
Inhibition
Activity
IC50
Km
Ki
Potency
AC50
Ac50
Concentration
Kd
Insulin release
Kieq
Ratio
pKa
Assay Summary
Total
42
F - Functional
B - Binding
A - ADME
P - Physicochemical
The table below displays ChEMBL targets which are predicted to interact with HYPOXANTHINE (CHEMBL1427). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not HYPOXANTHINE (CHEMBL1427) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | inactive | both | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | inactive | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | inactive | inactive | 6 |
Molecular Weight:
136.11
Molecular Weight (Monoisotopic):
136.0385
AlogP:
-0.35
#Rotatable Bonds:
0
Polar Surface Area:
74.43
Molecular Species:
NEUTRAL
HBA:
3
HBD:
2
#RO5 Violations:
0
HBA (Lipinski):
5
HBD (Lipinski):
2
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
8.52
CX Basic pKa:
--
CX LogP:
-0.88
CX LogD:
-0.91
Aromatic Rings:
2
Heavy Atoms:
10
QED Weighted:
0.52
Np Likeness Score:
-0.26
UniChem Connectivity Layer Cross References for
CHEMBL1427
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