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Compound Detail

CHEMBL612087

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CN1CCCCC1CC(=O)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL612087
Phase Preclinical
Structure Type MOL
InChI Key LXGBAZQTFHNCQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
2.14
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2O
MW 218.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
14552793 10.1016/s0960-894x(03)00728-5 Neuronal acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine