General Information of the Compound
Compound ID
CP0063449
Compound Name
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dioxoniooxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
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Synonyms
((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
5'-UDP
58-98-0
5G0F599A1Y
CHEBI:17659
CHEMBL130266
EINECS 200-409-6
UDP
UNII-5G0F599A1Y
URIDINE DIPHOSPHATE
Uridine 5'-(trihydrogen diphosphate)
Uridine 5'-diphosphate
Uridine 5'-pyrophosphate
Uridine 5'-pyrophosphoric acid
Uridine Pyrophosp
Uridine-5'-Diphosphate
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
uridine-5'-diphosphate
uridine-diphosphate
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Structure
Formula
C9H14N2O12P2
Molecular Weight
404.161
Canonical SMILES
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
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InChI
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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InChIKey
XCCTYIAWTASOJW-XVFCMESISA-N
Physicochemical Property
logP
-2.6179
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
217.84
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
10
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 146015339
SID: 14854965
ChEMBL ID
CHEMBL130266
DrugBank ID
DB03435
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04714, P2Y purinoceptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 16500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05219, P2Y purinoceptor 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 14000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02796, P2Y purinoceptor 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  9
1
EC50 = 13 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 15 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
EC50 = 42 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
EC50 = 48 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
5
EC50 = 100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
6
EC50 = 140 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
7
EC50 = 150 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
8
EC50 = 300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
9
EC50 = 530 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05781, P2Y purinoceptor 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Uridine-5'-Diphosphate )
Drug Name Uridine-5'-Diphosphate
Target(s)
UDP-glucose 4-epimerase (GALE)
 Target Info 
Inhibitor