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Compound Detail

CHEMBL303318

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O=C(O)c1ccc2c(Nc3cccc(Br)c3)ncnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303318
Phase Preclinical
Structure Type MOL
InChI Key PMQYRRHKBIMTGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.2
MW (Da)
3.83
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10BrN3O2
MW 344.17
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
11140724 10.1016/s0960-894x(00)00586-2 Fructose-1,6-bisphosphatase 1 1
22960695 10.1016/j.ejmech.2012.08.004 Unchecked 1

Data from ChEMBL 36 via Core Engine