CHEMBL228057
ID: CHEMBL228057
Name: Undefined
Max Phase:
Preclinical
Learn more
Molecular Formula: C15H22N2O18P2
Molecular Weight: 580.29
Molecule Type: Small molecule
Synonyms and Trade Names:
Uridine-5'-Diphosphoglucuronic Acid
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
Click on a chip to see all the compounds that belong to the
corresponding source.
Alternative forms of compound CHEMBL228057
Compounds similar to CHEMBL228057
Compounds with at least 85% similarity.
1
2
3
1 - 3 out of 3
Showing data from CHEMBL228057 and its 1 alternative forms.
Bioactivity Summary
Total
54
Growth Rate
%Inhib (Mean)
%Max (Mean)
Delta TM
EC50
Activity
Showing data from CHEMBL228057 and its 1 alternative forms.
Assay Summary
Total
29
F - Functional
B - Binding
T - Toxicity
Showing data from CHEMBL228057 and its 1 alternative forms.
Target Summary
Total
28
Membrane receptor
Enzyme
Epigenetic regulator
N/A
Total
2
Journal:
J Med Chem
Bioorg Med Chem
The table below displays ChEMBL targets which are predicted to interact with CHEMBL228057. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL228057 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 | both | 6 |
CHEMBL2725 | Beta-lactamase | inactive | inactive | both | 6 |
CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | both | 7 |
CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
Molecular Weight:
580.29
Molecular Weight (Monoisotopic):
580.0343
AlogP:
-4.70
#Rotatable Bonds:
9
Polar Surface Area:
314.06
Molecular Species:
ACID
HBA:
16
HBD:
9
#RO5 Violations:
3
HBA (Lipinski):
20
HBD (Lipinski):
9
#RO5 Violations (Lipinski):
3
CX Acidic pKa:
1.72
CX Basic pKa:
--
CX LogP:
-4.68
CX LogD:
-12.85
Aromatic Rings:
1
Heavy Atoms:
37
QED Weighted:
0.12
Np Likeness Score:
1.43
Alert Set | Priority | Alerts |
---|---|---|
Glaxo | 8 | |
BMS | 7 | |
Dundee | 4 | |
MLSMR | 3 |
UniChem Connectivity Layer Cross References for
CHEMBL228057
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
Match | Identical Component | S | I | P |
---|---|---|---|---|
CHEMBL1162071 | ||||
CHEMBL228057 | ||||
DB03041 | ||||
UGA | ||||
UGB |

ChEMBL is part of the ELIXIR infrastructure
ChEMBL is and Elixir Core Data Resource
Learn More