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

CHEMBL76059

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
CN(C)C(=O)N(C)CC#CCn1ccnc1

Basic Information

ChEMBL ID CHEMBL76059
Phase Preclinical
Structure Type MOL
InChI Key FSEQWXVAKCSDHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
0.50
ALogP
3
HBA
0
HBD
41.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N4O
MW 220.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.35

Activity Summary

Ki 1 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 7.84 7.84 14.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1875333 10.1021/jm00112a002 Mus musculus 6
1875333 10.1021/jm00112a002 Muscarinic acetylcholine receptor 2

Data from ChEMBL 36 via Core Engine