CHEMBL5077459
ID: CHEMBL5077459
Name: Undefined
Max Phase:
Preclinical
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Molecular Formula: C9H12N2Na3O15P3
Molecular Weight: 550.09
Molecule Type: Unknown
Synonyms and Trade Names:
INS-316
INS316
Uridine-5'-triphosphate
URIDINE 5'-TRIPHOSPHATE
URIDINE TRIPHOSPHATE
|
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 CHEMBL5077459
Showing data from CHEMBL5077459 and its parent (CHEMBL336296).
Bioactivity Summary
Total
280
EC50
Inhibition
Growth Rate
Activity
Ratio EC50
%Inhib (Mean)
%Max (Mean)
Efficacy
Delta TM
Ki
Km
Drug metabolism
Potency
Kcat
Kcat/Km
T1/2
Emax
IC50
Showing data from CHEMBL5077459 and its parent (CHEMBL336296).
Assay Summary
Total
225
F - Functional
B - Binding
P - Physicochemical
T - Toxicity
A - ADME
Showing data from CHEMBL5077459 and its parent (CHEMBL336296).
Target Summary
Total
91
Membrane receptor
Enzyme
N/A
Epigenetic regulator
Transporter
Ion channel
Unclassified protein
Histogram Settings
Total
8
Journal:
N/A
The table below displays ChEMBL targets which are predicted to interact with CHEMBL5077459. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL5077459 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 | inactive | 7 |
CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
Calculated properties from parent
:
Molecular Weight:
484.14
Molecular Weight (Monoisotopic):
483.9685
AlogP:
-2.50
#Rotatable Bonds:
8
Polar Surface Area:
264.37
Molecular Species:
ACID
HBA:
12
HBD:
7
#RO5 Violations:
2
HBA (Lipinski):
17
HBD (Lipinski):
7
#RO5 Violations (Lipinski):
2
CX Acidic pKa:
0.90
CX Basic pKa:
--
CX LogP:
-3.38
CX LogD:
-10.79
Aromatic Rings:
1
Heavy Atoms:
29
QED Weighted:
0.19
Np Likeness Score:
1.45
UniChem Connectivity Layer Cross References for
CHEMBL5077459
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