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

CHEMBL177314

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
O=C(Nc1cccc(-c2nc3c(N4CC5CCN(Cc6ccccc6)C5C4)ncnc3o2)c1)c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177314
Phase Preclinical
Structure Type MOL
InChI Key BGOXVMFCSBFTSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

584.6
MW (Da)
6.27
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H27F3N6O2
MW 584.60
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
15050645 10.1016/j.bmcl.2004.01.082 Adenosine kinase 1

Data from ChEMBL 36 via Core Engine