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Compound Detail

CHEMBL130266

URIDINE_DIPHOSPHATE
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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130266
Name URIDINE_DIPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key XCCTYIAWTASOJW-XVFCMESISA-N
10
Targets
36
Activities
4
Assay Types
2
PK Parameters
20
Publications
0
Known Names

Molecular Properties

404.2
MW (Da)
-2.62
ALogP
10
HBA
6
HBD
217.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H14N2O12P2
MW 404.16
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.52

Activity Summary

EC50 27 meas. best 7.89
Ki 4 meas.
Kd 3 meas. best 4.85
IC50 2 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P2Y purinoceptor 6
CHEMBL4714
 EC50 7.89 7.044 13.0 15
P2Y purinoceptor 14
CHEMBL4518
 EC50 7.54 7.15 29.0 5
P2Y purinoceptor 6
CHEMBL3543
 EC50 6.7 6.7 200.0 2
P2Y purinoceptor 14
CHEMBL4295660
 EC50 6.46 6.46 350.0 1
Unchecked
CHEMBL612545
 EC50 6.3 6.3 500.0 1
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
CHEMBL5955
 IC50 5.75 5.75 1800.0 1
P2Y purinoceptor 4
CHEMBL2123
 EC50 4.85 4.85 14000.0 1
Unchecked
CHEMBL612545
 Kd 4.85 4.85 14000.0 1
P2Y purinoceptor 2
CHEMBL4398
 EC50 4.78 4.78 16500.0 1
UDP-galactopyranose mutase
CHEMBL4450
 Kd 4.46 4.46 35000.0 1
Unchecked
CHEMBL612545
 IC50 4.34 4.34 46000.0 1
UDP-galactopyranose mutase
CHEMBL5169233
 Kd 4.27 4.27 54000.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 288.0 hr -
T1/2 2.4 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P2Y purinoceptor 6 EC50 = 13.0 nM 7.89 Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells as... 16942026
P2Y purinoceptor 6 EC50 = 15.0 nM 7.82 Measure of Agonist Potency at human P2Y purinoceptor 6 (hP2Y6) stably expressed ... 11754592
P2Y purinoceptor 6 EC50 = 15.0 nM 7.82 Agonist activity at P2Y6 receptor expressed in human 1321N1 cells assessed as in... 22901672
P2Y purinoceptor 14 EC50 = 29.0 nM 7.54 Agonist activity at human P2Y14 expressed in rat C6 cells 27413802
P2Y purinoceptor 14 EC50 = 33.0 nM 7.48 Agonist activity at human P2Y14 expressed in rat CHO cells 27413802
P2Y purinoceptor 6 EC50 = 42.0 nM 7.38 Agonist activity at human P2Y6 receptor expressed in 1321N1 cells assessed as IP... 17125260
P2Y purinoceptor 6 EC50 = 47.0 nM 7.33 Agonist activity at human P2Y6 receptor 22901672
P2Y purinoceptor 6 EC50 = 48.0 nM 7.32 Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 ce... 21417463
P2Y purinoceptor 14 EC50 = 74.0 nM 7.13 Agonist activity at human P2Y14 expressed in HEK293 cells 27413802
P2Y purinoceptor 6 EC50 = 86.0 nM 7.07 Stimulation of phospholipase C in 1321N1 astrocytoma cells transfected with huma... 16366591
P2Y purinoceptor 6 EC50 = 100.0 nM 7.0 Agonist activity evaluated as change in the level of cytosolic calcium in 1321N ... 11206448
P2Y purinoceptor 6 EC50 = 140.0 nM 6.85 Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed... 20095577
P2Y purinoceptor 6 EC50 = 150.0 nM 6.82 Agonist activity at human GFP-tagged P2Y6 receptor expressed in human 1321N1 cel... 22901672
P2Y purinoceptor 14 EC50 = 160.0 nM 6.8 Agonist activity at human P2Y14 receptor expressed in HEK293 cells coexpressing ... 19902968
P2Y purinoceptor 14 EC50 = 160.0 nM 6.8 Agonist activity at human recombinant P2Y14 receptor expressed in HEK293 cells a... 20446735
P2Y purinoceptor 6 EC50 = 200.0 nM 6.7 Agonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assessed a... 18760862
P2Y purinoceptor 6 EC50 = 200.0 nM 6.7 Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells asses... 22107038
P2Y purinoceptor 6 EC50 = 300.0 nM 6.52 The compound was evaluated for agonist activity against phospholipase C coupled ... 12213051
P2Y purinoceptor 6 EC50 = 300.0 nM 6.52 Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed... 18514530
P2Y purinoceptor 6 EC50 = 300.0 nM 6.52 Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 ce... 20446735

Literature References

PubMed DOI Target Context # Activities
17410128 10.1038/nature05704 Unchecked 11
17410128 10.1038/nature05704 P2Y purinoceptor 6 9
27413802 10.1021/acs.jmedchem.5b01972 P2Y purinoceptor 14 5
35777270 10.1016/j.bmc.2022.116896 UDP-galactopyranose mutase 5
17999967 10.1128/aac.01184-07 Unchecked 3
22901672 10.1016/j.bmc.2012.07.042 P2Y purinoceptor 6 3
22901672 10.1016/j.bmc.2012.07.042 Serum 3
19119008 10.1016/j.bmcl.2008.12.014 Unchecked 2
2061926 10.1021/jm00110a019 Ribonucleoside-diphosphate reductase RR1 2
17410128 10.1038/nature05704 Cysteinyl leukotriene receptor 1 2
16366591 10.1021/jm050911p P2Y purinoceptor 6 1
17125260 10.1021/jm060848j P2Y purinoceptor 6 1
17125260 10.1021/jm060848j P2Y purinoceptor 4 1
17125260 10.1021/jm060848j P2Y purinoceptor 2 1
16942026 10.1021/jm060485n P2Y purinoceptor 6 1
11206448 10.1016/s0960-894x(00)00612-0 P2Y purinoceptor 6 1
11206448 10.1016/s0960-894x(00)00612-0 P2Y purinoceptor 4 1
11206448 10.1016/s0960-894x(00)00612-0 P2Y purinoceptor 1 1
11754592 10.1021/jm010369e P2Y purinoceptor 6 1
12213051 10.1021/jm020046y P2Y purinoceptor 6 1

Data from ChEMBL 36 via Core Engine