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Compound Detail

CHEMBL3318900

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

Basic Information

ChEMBL ID CHEMBL3318900
Phase Preclinical
Structure Type MOL
InChI Key QXKNFCNVURVMES-RYUDHWBXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
1.44
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.52
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 C12H21NO2
MW 211.30
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.08

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