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Compound Detail

CHEMBL63450

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CCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63450
Phase Preclinical
Structure Type MOL
InChI Key UGBHNEOELUHXCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
5.31
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18BrN3O
MW 372.27
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.30

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