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Compound Detail

CHEMBL3318895

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COCCO[C@H]1CC[C@H]2CCN(C)[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318895
Phase Preclinical
Structure Type MOL
InChI Key QFMIFNPQAHGAST-SRVKXCTJSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

213.3
MW (Da)
1.52
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H23NO2
MW 213.32
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.58

Activity Summary

Ki 2 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