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Compound Detail

CHEMBL392045

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CN(C)C1(CCCCC2CCCCC2)COc2ccccc2OC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392045
Phase Preclinical
Structure Type MOL
InChI Key MREDDVDVVADTHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
4.90
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33NO2
MW 331.50
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
17188867 10.1016/j.bmcl.2006.11.058 Muscarinic acetylcholine receptor M1 1
17188867 10.1016/j.bmcl.2006.11.058 Muscarinic acetylcholine receptor M2 1
17188867 10.1016/j.bmcl.2006.11.058 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine