| Drug General Information |
| Drug ID |
D0D3YN
|
| Former ID |
DNC004869
|
| Drug Name |
OCTOCLOTHEPIN
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C19H21ClN2S
|
| Canonical SMILES |
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl
|
| InChI |
1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
|
| InChIKey |
XRYLGRGAWQSVQW-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
5-hydroxytryptamine 2C receptor |
Target Info |
Inhibitor |
[1]
|
|---|
| Histamine H1 receptor |
Target Info |
Inhibitor |
[1]
|
| Alpha-1B adrenergic receptor |
Target Info |
Inhibitor |
[1]
|
| Alpha-1D adrenergic receptor |
Target Info |
Inhibitor |
[1]
|
| D(2) dopamine receptor |
Target Info |
Inhibitor |
[1]
|
| Alpha-1A adrenergic receptor |
Target Info |
Inhibitor |
[1]
|
| 5-hydroxytryptamine 6 receptor |
Target Info |
Inhibitor |
[2]
|
|
KEGG Pathway
|
Calcium signaling pathway
|
|
Neuroactive ligand-receptor interaction
|
|
Gap junction
|
|
Serotonergic synapse
|
|
Inflammatory mediator regulation of TRP channelshsa04020:Calcium signaling pathway
|
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cGMP-PKG signaling pathway
|
|
Adrenergic signaling in cardiomyocytes
|
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Vascular smooth muscle contraction
|
|
Salivary secretionhsa04020:Calcium signaling pathway
|
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Salivary secretionhsa04015:Rap1 signaling pathway
|
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cAMP signaling pathway
|
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Dopaminergic synapse
|
|
Parkinson's disease
|
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Cocaine addiction
|
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Alcoholismhsa04020:Calcium signaling pathway
|
|
AMPK signaling pathway
|
|
NetPath Pathway
|
IL2 Signaling PathwayNetPath_14:IL2 Signaling Pathway
|
|
PANTHER Pathway
|
5HT2 type receptor mediated signaling pathwayP04385:Histamine H1 receptor mediated signaling pathwayP00002:Alpha adrenergic receptor signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
|
|
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
|
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Dopamine receptor mediated signaling pathway
|
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Nicotine pharmacodynamics pathwayP00002:Alpha adrenergic receptor signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
|
|
Pathway Interaction Database
|
LPA receptor mediated events
|
|
PathWhiz Pathway
|
Excitatory Neural Signalling Through 5-HTR 6 and Serotonin
|
|
Reactome
|
Serotonin receptors
|
|
G alpha (q) signalling eventsR-HSA-390650:Histamine receptors
|
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G alpha (q) signalling eventsR-HSA-390696:Adrenoceptors
|
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G alpha (q) signalling events
|
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G alpha (12/13) signalling eventsR-HSA-390696:Adrenoceptors
|
|
G alpha (12/13) signalling eventsR-HSA-390651:Dopamine receptors
|
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G alpha (i) signalling eventsR-HSA-390696:Adrenoceptors
|
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G alpha (12/13) signalling eventsR-HSA-390666:Serotonin receptors
|
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G alpha (s) signalling events
|
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WikiPathways
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Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
|
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Monoamine GPCRs
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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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IL-4 Signaling Pathway
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Calcium Regulation in the Cardiac Cell
|
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Vitamin D Receptor Pathway
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GPCR downstream signaling
|
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AMPK SignalingWP58:Monoamine GPCRs
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GPCRs, OtherWP666:Hypothetical Network for Drug Addiction
|
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Genes and (Common) Pathways Underlying Drug Addiction
|
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Nicotine Activity on Dopaminergic NeuronsWP58:Monoamine GPCRs
|
|
Endothelin Pathways
|
|
AMPK SignalingWP734:Serotonin Receptor 4/6/7 and NR3C Signaling
|
| References |
| REF 1 | J Med Chem. 2010 Oct 14;53(19):7021-34.Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity for |A(1)-adrenoceptors. |
|---|
| REF 2 | J Med Chem. 2005 Mar 24;48(6):1781-95.Medicinal chemistry driven approaches toward novel and selective serotonin 5-HT6 receptor ligands. |
|---|
