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Compound Detail

CHEMBL1463854

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O=c1c(Br)c(N2CCOCC2)cnn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1463854
Phase Preclinical
Structure Type MOL
InChI Key HHIGEMSQAJOBTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.2
MW (Da)
1.83
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14BrN3O2
MW 336.19
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
24398380 10.1016/j.bmc.2013.12.041 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 1

Data from ChEMBL 36 via Core Engine