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Compound Detail

CHEMBL234255

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c1ccc(CCNCC2(N3CCCC3)COc3ccccc3OC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL234255
Phase Preclinical
Structure Type MOL
InChI Key SDANSUYLLDYVEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.12
ALogP
4
HBA
1
HBD
33.7
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 C22H28N2O2
MW 352.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.23

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