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Compound Detail

CHEMBL432409

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O=Cc1cccc2cc(C3=CN4CCC3CC4)oc12

Basic Information

ChEMBL ID CHEMBL432409
Phase Preclinical
Structure Type MOL
InChI Key KZLOJWPPQXXGJS-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.31
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.77
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 C16H15NO2
MW 253.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.29

Activity Summary

Ki 4 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL2094109
Ki 6.19 5.8175 648.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8765510 10.1021/jm950455c Muscarinic acetylcholine receptor 4

Data from ChEMBL 36 via Core Engine