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Compound Detail

CHEMBL3105842

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NC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105842
Phase Preclinical
Structure Type MOL
InChI Key AMVHUSMEWZRMGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.1
MW (Da)
0.89
ALogP
5
HBA
2
HBD
90.0
PSA (Ų)
0.87
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 C12H11BrN4O2
MW 323.15
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.67

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