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Compound Detail

CHEMBL3105835

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CC(=O)c1nnn(-c2cnn(Cc3ccc(NCCN(C)C)cc3)c(=O)c2Br)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105835
Phase Preclinical
Structure Type MOL
InChI Key VPAYOCRHKLRUFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.4
MW (Da)
2.12
ALogP
9
HBA
1
HBD
97.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24BrN7O2
MW 474.36
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.94

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