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

CHEMBL4072484

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
CCN(CC)c1ccc(/C=C/c2cc(N3CCN(CCO)CC3)c3ccccc3[n+]2C)c(OC)c1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072484
Phase Preclinical
Structure Type MOL
InChI Key BFYFSNAMXGSQHU-UHFFFAOYSA-M
Parent Compound CHEMBL4117417
Active Moiety CHEMBL4117417
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

475.7
MW (Da)
3.80
ALogP
5
HBA
1
HBD
43.1
PSA (Ų)
0.48
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 C29H39IN4O2
MW 602.56
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
28242549 10.1016/j.ejmech.2017.02.042 No relevant target 3
28242549 10.1016/j.ejmech.2017.02.042 Acetylcholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Cholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine