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Compound Detail

CHEMBL448582

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CC(Cc1nc2c(N)ncnc2n1CCc1ccccc1)[PH](=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448582
Phase Preclinical
Structure Type MOL
InChI Key OLGNXXZFJVJGNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
2.05
ALogP
6
HBA
2
HBD
106.9
PSA (Ų)
0.66
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 C16H20N5O2P
MW 345.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.66

Literature References

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

Data from ChEMBL 36 via Core Engine