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Compound Detail

CHEMBL2092782

URACIL DIPHOSPHATE GLUCOSAMINE
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N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL2092782
Name URACIL DIPHOSPHATE GLUCOSAMINE
Phase Preclinical
Structure Type MOL
InChI Key CYKLRRKFBPBYEI-NQQHDEILSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

565.3
MW (Da)
-4.83
ALogP
16
HBA
9
HBD
302.8
PSA (Ų)
0.13
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N3O16P2
MW 565.32
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.38

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7000.0 nM 5.16 The compound was tested for inhibition of the rate of 1 uM UDP-[3H]-GlcNAc impor... 8709123

Literature References

PubMed DOI Target Context # Activities
8709123 10.1021/jm960175c Unchecked 2

Data from ChEMBL 36 via Core Engine