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

CHEMBL434684

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(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434684
Phase Preclinical
Structure Type MOL
InChI Key DMQAXIJUTYJHIV-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.76
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2
MW 278.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.52

Activity Summary

Ki 6 meas. best 7.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 7.91 7.91 12.3 1
Histamine H1 receptor
CHEMBL231
 Ki 7.54 7.54 28.8 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 7.5 7.5 31.6 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 7.46 7.46 34.7 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 7.06 7.06 87.1 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 7.01 7.01 97.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M2 Ki = 12.3 nM 7.91 Binding affinity towards cloned human muscarinic acetylcholine receptor M2 stabl... 12593665
Histamine H1 receptor Ki = 28.84 nM 7.54 Compound was evaluated for binding affinity towards cloned human histamine H1 re... 12593665
Muscarinic acetylcholine receptor M3 Ki = 31.62 nM 7.5 Binding affinity towards cloned human muscarinic acetylcholine receptor M3 stabl... 12593665
Muscarinic acetylcholine receptor M1 Ki = 34.67 nM 7.46 Binding affinity towards cloned human muscarinic acetylcholine receptor M1 stabl... 12593665
Muscarinic acetylcholine receptor M5 Ki = 87.1 nM 7.06 Binding affinity towards cloned human muscarinic acetylcholine receptor M5 stabl... 12593665
Muscarinic acetylcholine receptor M4 Ki = 97.72 nM 7.01 Binding affinity towards cloned human muscarinic acetylcholine receptor M4 stabl... 12593665

Literature References

PubMed DOI Target Context # Activities
12593665 10.1021/jm020895l Muscarinic acetylcholine receptor M1 1
12593665 10.1021/jm020895l Muscarinic acetylcholine receptor M2 1
12593665 10.1021/jm020895l Muscarinic acetylcholine receptor M3 1
12593665 10.1021/jm020895l Muscarinic acetylcholine receptor M4 1
12593665 10.1021/jm020895l Muscarinic acetylcholine receptor M5 1
12593665 10.1021/jm020895l Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine