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Compound Detail

CHEMBL485009

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Nc1ncnc2c1nc(S(=O)(=O)CCP(=O)(O)O)n2CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485009
Phase Preclinical
Structure Type MOL
InChI Key BPXJAFSGBWTAHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
0.60
ALogP
8
HBA
3
HBD
161.3
PSA (Ų)
0.47
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 C15H18N5O5PS
MW 411.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.70

Literature References

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

Data from ChEMBL 36 via Core Engine