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

CHEMBL255506

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
Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255506
Phase Preclinical
Structure Type MOL
InChI Key GSPVFJWPRRIMJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
5.91
ALogP
6
HBA
2
HBD
90.3
PSA (Ų)
0.37
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 C23H18F3N5O3
MW 469.42
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
18445527 10.1016/j.bmcl.2008.04.028 P2Y purinoceptor 1 1

Data from ChEMBL 36 via Core Engine