DEOXYURIDINE
ID: CHEMBL353955
Name: DEOXYURIDINE
Max Phase:
Preclinical
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Molecular Formula: C9H12N2O5
Molecular Weight: 228.20
Molecule Type: Small molecule
Synonyms and Trade Names:
2'-Deoxyuridine
Deoxyuridine
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL353955
Compounds similar to CHEMBL353955
Compounds with at least 85% similarity.
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Bioactivity Summary
Total
36
Activity
Inhibition
Ki
IC50
Relative phosphorylation
CC50
ED50
ID50
Km
Vmax
pKa
Assay Summary
Total
34
B - Binding
F - Functional
A - ADME
P - Physicochemical
Histogram Settings
|
Total
20
Journal:
J Med Chem
Bioorg Med Chem Lett
J Nat Prod
Bioorg Med Chem
The table below displays ChEMBL targets which are predicted to interact with DEOXYURIDINE (CHEMBL353955). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not DEOXYURIDINE (CHEMBL353955) 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 | inactive | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | active | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
228.20
Molecular Weight (Monoisotopic):
228.0746
AlogP:
-1.82
#Rotatable Bonds:
2
Polar Surface Area:
104.55
Molecular Species:
NEUTRAL
HBA:
6
HBD:
3
#RO5 Violations:
0
HBA (Lipinski):
7
HBD (Lipinski):
3
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
9.71
CX Basic pKa:
--
CX LogP:
-1.51
CX LogD:
-1.52
Aromatic Rings:
1
Heavy Atoms:
16
QED Weighted:
0.55
Np Likeness Score:
1.25
UniChem Connectivity Layer Cross References for
CHEMBL353955
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL353955 | ||||
| CHEMBL1256281 | ||||
| DB02256 | ||||
| DUR | ||||
| C00526 |
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