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Compound Detail

CHEMBL3105843

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O=c1c(Br)c(NCC2CCCO2)cnn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105843
Phase Preclinical
Structure Type MOL
InChI Key GUMPAXGRKZYKRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.2
MW (Da)
2.59
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.92
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 C15H16BrN3O2
MW 350.22
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.28

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