Drug Information

Drug General Information

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Drug ID

D0T2RY

Former ID

DNC011171

Drug Name

4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one

Synonyms

4-(4-Butylpiperidin-1-yl)-1-o-tolylbutan-1-one; AC-42; CHEMBL1242950; AC42; GTPL289; SCHEMBL4504348; ANTKBACNWQHQJE-UHFFFAOYSA-N; ZINC2022527; BDBM50326219; AKOS030284249; NCGC00485453-01; gamma-(4-Butylpiperidino)-2'-methylbutyrophenone; L019209; 4-(4-butylpiperdin-1-yl)-1-(2-methylphenyl)butan-1-one; 4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one

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Drug Type

Small molecular drug

Indication

Discovery agent [ICD-11: N.A.]

Investigative

[1], [2]

Structure

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2D MOL

3D MOL

Formula

C20H31NO

Canonical SMILES

CCCCC1CCN(CC1)CCCC(=O)C2=CC=CC=C2C

InChI

1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3

InChIKey

ANTKBACNWQHQJE-UHFFFAOYSA-N

PubChem Compound ID

9948320

Target and Pathway

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Target(s)

5-HT 1A receptor (HTR1A)

Target Info

Inhibitor

[2]

5-HT 2A receptor (HTR2A)

Target Info

Inhibitor

[2]

5-HT 2B receptor (HTR2B)

Target Info

Inhibitor

[2]

5-HT 2C receptor (HTR2C)

Target Info

Inhibitor

[2]

5-HT 3A receptor (HTR3A)

Target Info

Inhibitor

[2]

5-HT 4 receptor (HTR4)

Target Info

Inhibitor

[2]

5-HT 7 receptor (HTR7)

Target Info

Inhibitor

[2]

Acetylcholinesterase (AChE)

Target Info

Inhibitor

[2]

Adenosine A1 receptor (ADORA1)

Target Info

Inhibitor

[2]

Adenosine A2a receptor (ADORA2A)

Target Info

Inhibitor

[2]

Adenosine A3 receptor (ADORA3)

Target Info

Inhibitor

[2]

Adrenergic receptor alpha-1A (ADRA1A)

Target Info

Inhibitor

[2]

Adrenergic receptor alpha-1B (ADRA1B)

Target Info

Inhibitor

[2]

Adrenergic receptor alpha-1D (ADRA1D)

Target Info

Inhibitor

[2]

Adrenergic receptor alpha-2A (ADRA2A)

Target Info

Inhibitor

[2]

Adrenergic receptor beta-1 (ADRB1)

Target Info

Inhibitor

[2]

Cannabinoid receptor 1 (CB1)

Target Info

Inhibitor

[2]

Dopamine D1 receptor (D1R)

Target Info

Inhibitor

[2]

Dopamine D2 receptor (D2R)

Target Info

Inhibitor

[2]

Dopamine D3 receptor (D3R)

Target Info

Inhibitor

[2]

Dopamine transporter (DAT)

Target Info

Inhibitor

[2]

Endothelin A receptor (EDNRA)

Target Info

Inhibitor

[2]

Gastrin/cholecystokinin type B receptor (CCKBR)

Target Info

Inhibitor

[2]

Glucocorticoid receptor messenger RNA (GCR mRNA)

Target Info

Inhibitor

[2]

Histamine H1 receptor (H1R)

Target Info

Inhibitor

[2]

Histamine H2 receptor (H2R)

Target Info

Inhibitor

[2]

Histamine H3 receptor (H3R)

Target Info

Inhibitor

[2]

Melanocortin receptor 4 (MC4R)

Target Info

Inhibitor

[2]

Melatonin receptor type 1A (MTNR1A)

Target Info

Inhibitor

[2]

Muscarinic acetylcholine receptor M1 (CHRM1)

Target Info

Inhibitor

[2], [3]

Muscarinic acetylcholine receptor M2 (CHRM2)

Target Info

Inhibitor

[2]

Muscarinic acetylcholine receptor M3 (CHRM3)

Target Info

Inhibitor

[2]

Muscarinic acetylcholine receptor M4 (CHRM4)

Target Info

Inhibitor

[2]

Muscarinic acetylcholine receptor M5 (CHRM5)

Target Info

Inhibitor

[2]

Neuronal acetylcholine receptor alpha-4 (CHRNA4)

Target Info

Inhibitor

[2]

Neuronal acetylcholine receptor beta-2 (CHRNB2)

Target Info

Inhibitor

[2]

Neuropeptide Y receptor type 1 (NPY1R)

Target Info

Inhibitor

[2]

Neurotensin receptor type 1 (NTSR1)

Target Info

Inhibitor

[2]

Norepinephrine transporter (NET)

Target Info

Inhibitor

[2]

Opioid receptor mu (MOP)

Target Info

Inhibitor

[2]

Serotonin transporter (SERT)

Target Info

Inhibitor

[2]

Substance-K receptor (TACR2)

Target Info

Inhibitor

[2]

Substance-P receptor (TACR1)

Target Info

Inhibitor

[2]

KEGG Pathway

Neuroactive ligand-receptor interaction

Estrogen signaling pathway

Morphine addiction

Calcium signaling pathway

Cholinergic synapse

Regulation of actin cytoskeleton

Insulin secretion

Salivary secretion

Gastric acid secretion

Pancreatic secretion

Dopaminergic synapse

Glycerophospholipid metabolism

Nicotine addiction

Serotonergic synapse

Gap junction

Inflammatory mediator regulation of TRP channels

cGMP-PKG signaling pathway

AMPK signaling pathway

Adrenergic signaling in cardiomyocytes

Vascular smooth muscle contraction

cAMP signaling pathway

Renin secretion

Pathways in cancer

PI3K-Akt signaling pathway

Sphingolipid signaling pathway

Parkinson's disease

Cocaine addiction

Amphetamine addiction

Alcoholism

Rap1 signaling pathway

Retrograde endocannabinoid signaling

Ras signaling pathway

Circadian entrainment

Endocytosis

Dilated cardiomyopathy

Measles

NetPath Pathway

TCR Signaling Pathway

IL2 Signaling Pathway

IL4 Signaling Pathway

RANKL Signaling Pathway

FSH Signaling Pathway

Panther Pathway

Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway

Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway

Enkephalin release

Alzheimer disease-amyloid secretase pathway

Muscarinic acetylcholine receptor 1 and 3 signaling pathway

Muscarinic acetylcholine receptor 2 and 4 signaling pathway

Nicotinic acetylcholine receptor signaling pathway

Nicotine pharmacodynamics pathway

5HT3 type receptor mediated signaling pathway

5HT2 type receptor mediated signaling pathway

5HT1 type receptor mediated signaling pathway

5HT4 type receptor mediated signaling pathway

Alpha adrenergic receptor signaling pathway

Endothelin signaling pathway

Histamine H1 receptor mediated signaling pathway

Histamine H2 receptor mediated signaling pathway

Adrenaline and noradrenaline biosynthesis

Parkinson disease

Dopamine receptor mediated signaling pathway

Endogenous cannabinoid signaling

CCKR signaling map ST

Beta1 adrenergic receptor signaling pathway

Pathwhiz Pathway

Gastric Acid Production

Phospholipid Biosynthesis

Muscle/Heart Contraction

Excitatory Neural Signalling Through 5-HTR 4 and Serotonin

Intracellular Signalling Through Histamine H2 Receptor and Histamine

Dopamine Activation of Neurological Reward System

Excitatory Neural Signalling Through 5-HTR 7 and Serotonin

Intracellular Signalling Through Adenosine Receptor A2a and Adenosine

Pathway Interaction Database

IL4-mediated signaling events

ATF-2 transcription factor network

Syndecan-3-mediated signaling events

Endothelins

EGFR-dependent Endothelin signaling events

Alpha-synuclein signaling

N-cadherin signaling events

LPA receptor mediated events

HIF-2-alpha transcription factor network

Regulation of nuclear SMAD2/3 signaling

Signaling events mediated by HDAC Class II

FOXA2 and FOXA3 transcription factor networks

Glucocorticoid receptor regulatory network

Regulation of Androgen receptor activity

AP-1 transcription factor network

Reactome

Peptide ligand-binding receptors

G alpha (i) signalling events

Histamine receptors

Muscarinic acetylcholine receptors

Acetylcholine regulates insulin secretion

G alpha (q) signalling events

Dopamine receptors

G alpha (s) signalling events

Highly sodium permeable acetylcholine nicotinic receptors

Highly calcium permeable postsynaptic nicotinic acetylcholine receptors

Highly calcium permeable nicotinic acetylcholine receptors

Ligand-gated ion channel transport

Serotonin receptors

Adrenoceptors

G alpha (12/13) signalling events

Adenosine P1 receptors

Na+/Cl- dependent neurotransmitter transporters

Class A/1 (Rhodopsin-like receptors)

Gastrin-CREB signalling pathway via PKC and MAPK

Adrenaline signalling through Alpha-2 adrenergic receptor

Adrenaline,noradrenaline inhibits insulin secretion

G alpha (z) signalling events

Surfactant metabolism

NGF-independant TRKA activation

BMAL1:CLOCK,NPAS2 activates circadian gene expression

WikiPathways

TCR Signaling Pathway

GPCRs, Class A Rhodopsin-like

Peptide GPCRs

Opioid Signalling

GPCR ligand binding

GPCR downstream signaling

Monoamine Transport

Monoamine GPCRs

Calcium Regulation in the Cardiac Cell

Regulation of Actin Cytoskeleton

Gastrin-CREB signalling pathway via PKC and MAPK

Integration of energy metabolism

GPCRs, Other

Nicotine Activity on Dopaminergic Neurons

Biogenic Amine Synthesis

Acetylcholine Synthesis

Integrated Pancreatic Cancer Pathway

SIDS Susceptibility Pathways

Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell

Iron uptake and transport

Serotonin Receptor 2 and ELK-SRF/GATA4 signaling

NRF2 pathway

Synaptic Vesicle Pathway

Serotonin Transporter Activity

Endothelin Pathways

AMPK Signaling

Prostaglandin Synthesis and Regulation

Secretion of Hydrochloric Acid in Parietal Cells

IL-4 Signaling Pathway

Nucleotide GPCRs

Serotonin Receptor 4/6/7 and NR3C Signaling

Dopaminergic Neurogenesis

Parkinsons Disease Pathway

Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds

Neurotransmitter Clearance In The Synaptic Cleft

Small Ligand GPCRs

BDNF signaling pathway

Hypothetical Network for Drug Addiction

Genes and (Common) Pathways Underlying Drug Addiction

Serotonin Receptor 2 and STAT3 Signaling

Serotonin HTR1 Group and FOS Pathway

Platelet Aggregation (Plug Formation)

Vitamin D Receptor Pathway

Spinal Cord Injury

NGF signalling via TRKA from the plasma membrane

Endoderm Differentiation

Hair Follicle Development: Cytodifferentiation (Part 3 of 3)

Adipogenesis

Circadian Clock

Nuclear Receptors

References

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REF 1

URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 289).

REF 2

Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97.

REF 3

Pharmacological comparison of muscarinic ligands: historical versus more recent muscarinic M1-preferring receptor agonists. Eur J Pharmacol. 2009 Mar 1;605(1-3):53-6.

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