| Drug General Information |
| Drug ID |
D07DEY
|
| Former ID |
DNC013219
|
| Drug Name |
3-(3-benzylamino)-piperidin-2-one
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C13H18N2O
|
| Canonical SMILES |
C1CC(C(=O)NC1)CC2=CC(=CC=C2)CN
|
| InChI |
1S/C13H18N2O/c14-9-11-4-1-3-10(7-11)8-12-5-2-6-15-13(12)16/h1,3-4,7,12H,2,5-6,8-9,14H2,(H,15,16)
|
| InChIKey |
WOUBCSVRQLAOBC-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Muscarinic acetylcholine receptor M5 |
Target Info |
Inhibitor |
[1]
|
|---|
| Muscarinic acetylcholine receptor M4 |
Target Info |
Inhibitor |
[1]
|
| Muscarinic acetylcholine receptor M3 |
Target Info |
Inhibitor |
[1]
|
| Muscarinic acetylcholine receptor M2 |
Target Info |
Inhibitor |
[1]
|
| Muscarinic acetylcholine receptor M1 |
Target Info |
Inhibitor |
[1]
|
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KEGG Pathway
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Calcium signaling pathway
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Neuroactive ligand-receptor interaction
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Cholinergic synapse
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Regulation of actin cytoskeletonhsa04080:Neuroactive ligand-receptor interaction
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Regulation of actin cytoskeletonhsa04020:Calcium signaling pathway
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Regulation of actin cytoskeleton
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Insulin secretion
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Salivary secretion
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Gastric acid secretion
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Pancreatic secretionhsa04020:Calcium signaling pathway
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cAMP signaling pathway
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PI3K-Akt signaling pathway
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PANTHER Pathway
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Alzheimer disease-amyloid secretase pathway
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Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathwayP00003:Alzheimer disease-amyloid secretase pathway
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Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
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Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
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Muscarinic acetylcholine receptor 2 and 4 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
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Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
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Muscarinic acetylcholine receptor 1 and 3 signaling pathway
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PathWhiz Pathway
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Gastric Acid ProductionPW000564:Muscle/Heart Contraction
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Reactome
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Muscarinic acetylcholine receptors
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G alpha (q) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
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G alpha (i) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
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Acetylcholine regulates insulin secretion
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G alpha (q) signalling events
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WikiPathways
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Monoamine GPCRs
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Calcium Regulation in the Cardiac Cell
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Regulation of Actin Cytoskeleton
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GPCRs, Class A Rhodopsin-like
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Gastrin-CREB signalling pathway via PKC and MAPK
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GPCR ligand binding
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GPCR downstream signalingWP58:Monoamine GPCRs
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Integration of energy metabolism
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GPCR downstream signaling
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GPCRs, OtherWP706:SIDS Susceptibility Pathways
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GPCRs, OtherWP58:Monoamine GPCRs
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Secretion of Hydrochloric Acid in Parietal Cells
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| References |
| REF 1 | J Med Chem. 2007 Apr 19;50(8):1925-32. Epub 2007 Mar 17.Designing active template molecules by combining computational de novo design and human chemist's expertise. |
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