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

CHEMBL1179139

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
COc1ccc(C(=O)COc2ccc([N+](C)(C)Cc3ccccc3)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179139
Phase Preclinical
Structure Type MOL
InChI Key IRYUPEYMYZHTOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
4.73
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28NO4+
MW 406.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine