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Compound Detail

CHEMBL3343359

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Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3343359
Phase Preclinical
Structure Type MOL
InChI Key CDRNJFZQWHQTDM-AZAPLDFKSA-M
Parent Compound CHEMBL3558488
Active Moiety CHEMBL3558488
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

686.4
MW (Da)
-4.66
ALogP
21
HBA
10
HBD
362.4
PSA (Ų)
0.08
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N8NaO16P2
MW 708.40
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness 0.63

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
25438767 10.1016/j.bmc.2014.09.038 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 2

Data from ChEMBL 36 via Core Engine