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Compound Detail

CHEMBL609800

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Nc1ccn(C2O[C@H](COP(=O)(O)N[C@@H](Cc3ccccc3)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609800
Phase Preclinical
Structure Type MOL
InChI Key GVVQXLLUBYSMOZ-QLTCMSEGSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
-1.15
ALogP
10
HBA
6
HBD
206.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N4O9P
MW 470.38
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.96

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
12482445 10.1016/s0960-894x(02)00735-7 CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase 1
12482445 10.1016/s0960-894x(02)00735-7 Beta-galactoside alpha-2,6-sialyltransferase 1 1

Data from ChEMBL 36 via Core Engine