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Compound Detail

CHEMBL122314

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CN(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122314
Phase Preclinical
Structure Type MOL
InChI Key FCEMMQWGASQRTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.46
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2
MW 295.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
10479304 10.1021/jm990286m Neuronal acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine