General Information of the Compound
Compound ID
CP0224867
Compound Name
1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione 5'-monophosphate
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Synonyms
1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione 5''-monophosp
1dqx
1eix
1lor
29741-00-2
5'-Uridylic acid, 6-hydroxy-
5'-Uridylic acid,6-hydroxy-
6-HYDROXYURIDINE-5''-PHOSPHATE
6-HYDROXYURIDINE-5'-PHOSPHATE
6-Hydroxyuridine 5'-phosphoric acid
6-Hydroxyuridine-5'-Phosphate
6-hydroxy-UMP
6-hydroxyuridine 5'-(dihydrogen phosphate)
6-hydroxyuridine 5'-phosphate
AC1L4PT5
AC1Q69HY
BDBM50199178
Barbituric acid ribonucleoside 5'-phosphate
CHEMBL383923
CTK4G3746
DB02890
DTXSID50183892
Phosphoribofuranosylbarbituric acid
Prfb acid
SCHEMBL2130675
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Structure
Formula
C9H13N2O10P
Molecular Weight
340.181
Canonical SMILES
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(O)cc(=O)[nH]c1=O
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InChI
InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
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InChIKey
UDOBICLZEKUKCV-YXZULKJRSA-N
CAS
29741-00-2
Physicochemical Property
logP
-3.0293
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
191.54
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
9
Complexity
22

"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: 161647
ChEMBL ID
CHEMBL383923
DrugBank ID
DB02890
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05219, P2Y purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02796, P2Y purinoceptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-Hydroxyuridine-5'-Phosphate )
Drug Name 6-Hydroxyuridine-5'-Phosphate
Target(s)
Orotidine 5'-monophosphate decarboxylase (UMPS)
Inhibitor