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

CHEMBL273439

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
CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc5ccccc5c4)CC3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL273439
Phase Preclinical
Structure Type MOL
InChI Key UVJNNUABUWMROS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

486.7
MW (Da)
6.90
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.35
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 C31H38N2OS
MW 486.73
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.07

Activity Summary

Ki 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
Ki 6.62 6.62 241.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptor M2 1
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptors; M2 & M3 1
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptor M2 and M4 1
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptor M2 and M5 1

Data from ChEMBL 36 via Core Engine