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Compound Detail

CHEMBL360904

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C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@H](C)N3)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360904
Phase Preclinical
Structure Type MOL
InChI Key GEQKTSPOTKEYOG-MUBJNLQQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
4.08
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H33NO2
MW 331.50
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.46

Literature References

PubMed DOI Target Context # Activities
15225708 10.1016/j.bmcl.2004.05.047 Muscarinic acetylcholine receptor M2 1
15225708 10.1016/j.bmcl.2004.05.047 Muscarinic acetylcholine receptor M1 1

Data from ChEMBL 36 via Core Engine