Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL307526

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOc1cc2nc(CN3CCOCC3)nc(Nc3cccc(Br)c3)c2cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307526
Phase Preclinical
Structure Type MOL
InChI Key RZZPEHGBVPTSCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.4
MW (Da)
4.77
ALogP
7
HBA
1
HBD
68.7
PSA (Ų)
0.49
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 C23H27BrN4O3
MW 487.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.61

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