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Compound Detail

CHEMBL612095

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CN1CCC[C@H]1/C=C1\CCC/C(=C\[C@H]2CCCN2C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL612095
Phase Preclinical
Structure Type MOL
InChI Key ZQBOCFZBKSKXHE-UIIUPVTGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
2.78
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.73
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 C18H28N2O
MW 288.44
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.15

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14552793 10.1016/s0960-894x(03)00728-5 Neuronal acetylcholine receptor 2

Data from ChEMBL 36 via Core Engine