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Compound Detail

CHEMBL138673

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c1ccc(-c2cc([C@H]3CCCN3)on2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138673
Phase Preclinical
Structure Type MOL
InChI Key LCURYJMHRCNAOP-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
2.77
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O
MW 214.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
7799396 10.1021/jm00052a005 Neuronal acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine