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

CHEMBL1789234

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
COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc(F)cc1C(F)(F)F)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789234
Phase Preclinical
Structure Type MOL
InChI Key KPUGEYUDBQUMRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.4
MW (Da)
5.46
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H18F4NO5+
MW 512.44
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 0.33

Data from ChEMBL 36 via Core Engine