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

CHEMBL4096126

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
CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1/C=N\O.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096126
Phase Preclinical
Structure Type MOL
InChI Key URAYUBZMOMQFTE-UHFFFAOYSA-N
Parent Compound CHEMBL4117368
Active Moiety CHEMBL4117368
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
1.83
ALogP
5
HBA
2
HBD
90.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36IN5O3
MW 521.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.12

Activity Summary

Kd 3 meas.

Literature References

PubMed DOI Target Context # Activities
29091431 10.1021/acs.jmedchem.7b01083 Acetylcholinesterase 10

Data from ChEMBL 36 via Core Engine