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

CHEMBL3360958

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
Cn1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc-2c1=O

Basic Information

ChEMBL ID CHEMBL3360958
Phase Preclinical
Structure Type MOL
InChI Key DWJNUFYDSXVEAZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.07
ALogP
6
HBA
0
HBD
57.6
PSA (Ų)
0.50
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 C21H17N5O
MW 355.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.09

Activity Summary

EC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL216
EC50 5.61 5.61 2430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25435150 10.1016/j.bmcl.2014.11.011 Muscarinic acetylcholine receptor M1 2

Data from ChEMBL 36 via Core Engine