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

CHEMBL31915

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[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL31915
Phase Preclinical
Structure Type MOL
InChI Key WZSFQQFIWVDJHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.44
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N3O4+
MW 420.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.27

Activity Summary

EC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL4781
EC50 5.05 5.05 8810.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12672239 10.1021/jm021077w Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine