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CHEMBL228057

Compound

Name and Classification

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

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

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Scientific Literature

Alternative Forms

Alternative forms of compound CHEMBL228057

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Parent:

CHEMBL228057

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Alternative Forms:

CHEMBL5094674

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1 out of 1

Similar Compounds

Compounds similar to CHEMBL228057

Compounds with at least 85% similarity.

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CHEMBL5094674

Similarity: 100.00

CHEMBL1162071

Similarity: 100.00

CHEMBL1784902

Similarity: 98.33

1 - 3 out of 3

Activity Charts

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Showing data from CHEMBL228057 and its 1 alternative forms.

Bioactivity Summary

Total

Growth Rate

%Inhib (Mean)

%Max (Mean)

Delta TM

EC50

Activity

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Showing data from CHEMBL228057 and its 1 alternative forms.

Assay Summary

Total

F - Functional

B - Binding

T - Toxicity

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Showing data from CHEMBL228057 and its 1 alternative forms.

Target Summary

Total

Membrane receptor

Enzyme

Epigenetic regulator

N/A

Literature

Total

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

Calculated Properties

Molecular Weight:

580.29

Molecular Weight (Monoisotopic):

580.0343

AlogP:

-4.70

#Rotatable Bonds:

Polar Surface Area:

314.06

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

1.72

CX Basic pKa:

CX LogP:

-4.68

CX LogD:

-12.85

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.12

Np Likeness Score:

1.43

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79224873 Alert Name: I15 Di and Triphosphates 1 1 out of 1
BMS	7	Alert ID: 81096766 Alert Name: gte_2_free_phos 1 1 out of 1
Dundee	4	Alert ID: 80641736 Alert Name: phosphor 1 1 out of 1
MLSMR	3	Alert ID: 83477750 Alert Name: Phosphoric acid 1 Alert ID: 83492697 Alert Name: Phosphoric ester 2 Alert ID: 83507401 Alert Name: di/triphosphate 3 1 - 3 out of 3