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Compound Detail

CHEMBL485144

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CC(C)(C)Cn1c(Cn2ccnc2P(=O)(O)O)nc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485144
Phase Preclinical
Structure Type MOL
InChI Key MPLGBKZUDNWUSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
0.50
ALogP
8
HBA
3
HBD
145.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N7O3P
MW 365.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.77

Literature References

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

Data from ChEMBL 36 via Core Engine