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

CHEMBL76287

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
CN1CCC[C@H]1COc1ccc2c(c1)OC(=O)S2(=O)=O

Basic Information

ChEMBL ID CHEMBL76287
Phase Preclinical
Structure Type MOL
InChI Key DZOVETJZNPPNQR-VIFPVBQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
1.45
ALogP
6
HBA
0
HBD
72.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO5S
MW 297.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.39

Activity Summary

Ki 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-10
CHEMBL3461
Ki 6.47 6.47 339.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00416-7 Neuronal acetylcholine receptor subunit alpha-10 1

Data from ChEMBL 36 via Core Engine