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Compound Detail

CHEMBL3343356

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NC[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3343356
Phase Preclinical
Structure Type MOL
InChI Key JALIVUIIJSSMML-JGQUBWHWSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

604.4
MW (Da)
-4.66
ALogP
18
HBA
10
HBD
337.5
PSA (Ų)
0.12
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 C16H26N6O15P2
MW 604.36
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 1.25

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 3

Data from ChEMBL 36 via Core Engine