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

CHEMBL1161006

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
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/C1CCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161006
Phase Preclinical
Structure Type MOL
InChI Key GYNPPAAQUQBHIM-KRQVVYRTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.4
MW (Da)
3.08
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO
MW 247.38
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.51

Activity Summary

IC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor
CHEMBL2094110
 IC50 4.24 4.24 57700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor IC50 = 57700.0 nM 4.24 Binding affinity towards nicotinic acetylcholine receptor using [3H]-cytisine as... 14552793

Literature References

PubMed DOI Target Context # Activities
14552793 10.1016/s0960-894x(03)00728-5 Neuronal acetylcholine receptor 2

Data from ChEMBL 36 via Core Engine