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Compound Detail

CHEMBL520489

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CN(C)c1ncnc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520489
Phase Preclinical
Structure Type MOL
InChI Key NEDFOCCPJOSUJT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
2.20
ALogP
7
HBA
2
HBD
117.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N5O4P
MW 413.37
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19348494 10.1021/jm900078f Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine