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Compound Detail

CHEMBL435158

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CN(CCc1ccccc1)CC1(N(C)C)COc2ccccc2OC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL435158
Phase Preclinical
Structure Type MOL
InChI Key NOVHBLUNWGORLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
2.93
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.81
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 C21H28N2O2
MW 340.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.44

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