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

CHEMBL4450096

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(O)c1cc(NC(=O)c2ccc(F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450096
Phase Preclinical
Structure Type MOL
InChI Key CHJFBODXWLUKRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
4.91
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23FN2O3
MW 418.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
31376563 10.1016/j.ejmech.2019.111564 P2Y purinoceptor 14 2

Data from ChEMBL 36 via Core Engine