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Compound Detail

CHEMBL484923

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CCOP(=O)(O)c1ccc(-c2nc3c(N)ncnc3n2CCc2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484923
Phase Preclinical
Structure Type MOL
InChI Key QDGAHIBQMUNYHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
2.76
ALogP
8
HBA
2
HBD
129.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
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 -0.48

Literature References

PubMed DOI Target Context # Activities
19348494 10.1021/jm900078f Fructose-1,6-bisphosphatase 1 2

Data from ChEMBL 36 via Core Engine