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Compound Detail

CHEMBL3318898

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CCO[C@H]1CC=C2CCN(C)[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318898
Phase Preclinical
Structure Type MOL
InChI Key XDZKCTHAYIGTLM-QWRGUYRKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

181.3
MW (Da)
1.82
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.60
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 C11H19NO
MW 181.28
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.32

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
25050162 10.1021/ml500094c Neuronal acetylcholine receptor; alpha3/beta4 2
25050162 10.1021/ml500094c Neuronal acetylcholine receptor; alpha4/beta2 1
25050162 10.1021/ml500094c Neuronal acetylcholine receptor; alpha4/beta4 1
25050162 10.1021/ml500094c Nicotinic acetylcholine receptor alpha-4/beta-2 1

Data from ChEMBL 36 via Core Engine