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

CHEMBL1643945

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
C(#Cc1ccccc1C#CCCCN1CCc2ccccc2C1)CCCN1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1643945
Phase Preclinical
Structure Type MOL
InChI Key JOULBUUDXLJYEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
6.07
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H36N2
MW 472.68
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
21147530 10.1016/j.bmcl.2010.11.070 Neuronal acetylcholine receptor subunit alpha-6 3

Data from ChEMBL 36 via Core Engine