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Compound Detail

CHEMBL3318899

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CN1CCC2=CC[C@H](OCc3ccccc3)C[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318899
Phase Preclinical
Structure Type MOL
InChI Key CTYDRJJRSIVMEI-HOTGVXAUSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
3.00
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO
MW 243.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.86

Activity Summary

Ki 3 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