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Compound Detail

CHEMBL365474

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CC(C)=NO[C@@H]1CCCN(C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365474
Phase Preclinical
Structure Type MOL
InChI Key BLPIGWJJEIPMJZ-SECBINFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

170.3
MW (Da)
1.49
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.46
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 C9H18N2O
MW 170.26
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
15501049 10.1016/j.bmcl.2004.09.044 Neuronal acetylcholine receptor; alpha4/beta2 1
15501049 10.1016/j.bmcl.2004.09.044 Neuronal acetylcholine receptor subunit alpha-7 1
15501049 10.1016/j.bmcl.2004.09.044 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine