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Compound Detail

CHEMBL3318892

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CN1CC[C@@H]2CC[C@H](O)C[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318892
Phase Preclinical
Structure Type MOL
InChI Key RKOCDJXFGLQLOC-CIUDSAMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

155.2
MW (Da)
0.85
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H17NO
MW 155.24
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.43

Literature References

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

Data from ChEMBL 36 via Core Engine