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

CHEMBL192237

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
O=C1O[C@]2(CN3CCC2CC3)CN1c1cc2ccccc2s1

Basic Information

ChEMBL ID CHEMBL192237
Phase Preclinical
Structure Type MOL
InChI Key BHNZNEIADWVYEY-QGZVFWFLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.32
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.81
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 C17H18N2O2S
MW 314.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.06

Activity Summary

Ki 2 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
Ki 7.12 7.12 75.0 1
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
Ki 7.12 7.12 75.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15801858 10.1021/jm049188d Neuronal acetylcholine receptor subunit alpha-7 1
21919481 10.1021/jm2007672 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine