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

CHEMBL1088019

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
[Br-].[Br-].c1cc[n+](CCCCC[n+]2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088019
Phase Preclinical
Structure Type MOL
InChI Key NNOMKLVYLMOWFT-UHFFFAOYSA-L
Parent Compound CHEMBL1179867
Active Moiety CHEMBL1179867
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.13
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20Br2N2
MW 388.15
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.01

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20138518 10.1016/j.bmcl.2010.01.034 Acetylcholinesterase 1
20138518 10.1016/j.bmcl.2010.01.034 Cholinesterase 1

Data from ChEMBL 36 via Core Engine