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Compound Detail

CHEMBL137134

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CN1CCN(c2ccccc2)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137134
Phase Preclinical
Structure Type MOL
InChI Key QGEHHIGKYFUUAA-UHFFFAOYSA-N
Parent Compound CHEMBL171789
Active Moiety CHEMBL171789
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

176.3
MW (Da)
1.44
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17ClN2
MW 212.72
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
11689081 10.1021/jm010901y Neuronal acetylcholine receptor; alpha4/beta2 2
14643319 10.1016/j.bmcl.2003.09.047 Neuronal acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine