CHEMBL5077459


ID: CHEMBL5077459
Name: Undefined
Max Phase:
Preclinical Learn more
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:
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Alternative forms of compound CHEMBL5077459
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Parent:

URIDINE TRIPHOSPHATE
Alternative Forms:

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Showing data from CHEMBL5077459 and its parent (CHEMBL336296).
Bioactivity Summary
EC50 Inhibition Growth Rate Activity Ratio EC50 %Inhib (... %Max (Mean) Efficacy
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
F - Func... B - Binding
Total
225
F - Functional
B - Binding
P - Physicochemical
T - Toxicity
A - ADME
Showing data from CHEMBL5077459 and its parent (CHEMBL336296).
Target Summary
Membrane... Enzyme N/A Epigenet...
Total
91
Membrane receptor
Enzyme
N/A
Epigenetic regulator
Transporter
Ion channel
Unclassified protein
Histogram Settings


0.5 1 1.5 2 2.5 3 2020 2021 2022 2023 2024 Year→
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

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveboth6
CHEMBL2725Beta-lactamaseinactiveinactiveboth6
CHEMBL5062Coagulation factor Xemptyemptyempty6.5
CHEMBL1947Thyroid hormone receptor beta-1emptyemptyinactive7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7emptyemptyactive6
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
Alert SetPriorityAlerts
BMS7
Alert ID: 81100919 Alert Name: gte_2_free_phos
1
1 out of 1
Dundee4
Alert ID: 80667246 Alert Name: phosphor
1
1 out of 1
MLSMR3
Alert ID: 83488914 Alert Name: Phosphoric acid
1
Alert ID: 83505757 Alert Name: Phosphoric ester
2
1 - 2 out of 2
UniChem Connectivity Layer Cross References for CHEMBL5077459

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