Drug Information

Drug General Information
Drug ID
D0F9QT
Former ID
DNC008996
Drug Name
A-987306
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C18H25N5O
Canonical SMILES
C1CCC2C(C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)N
InChI
1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m0/s1
InChIKey
DJKJVWJQAVGLHJ-WCQYABFASA-N
PubChem Compound ID
25109291
Target and Pathway
Target(s) 5-hydroxytryptamine 2A receptor Target Info Inhibitor [1]
5-hydroxytryptamine 1A receptor Target Info Inhibitor [1]
Muscarinic acetylcholine receptor M4 Target Info Inhibitor [1]
5-hydroxytryptamine 2B receptor Target Info Inhibitor [1]
5-hydroxytryptamine receptor 3A Target Info Inhibitor [1]
D(3) dopamine receptor Target Info Inhibitor [1]
Muscarinic acetylcholine receptor M3 Target Info Inhibitor [1]
C-C chemokine receptor type 1 Target Info Inhibitor [1]
NK-2 receptor Target Info Inhibitor [1]
Adenosine A1 receptor Target Info Inhibitor [1]
Vasopressin V1a receptor Target Info Inhibitor [1]
5-hydroxytryptamine 1B receptor Target Info Inhibitor [1]
Muscarinic acetylcholine receptor M1 Target Info Inhibitor [1]
Muscarinic acetylcholine receptor M2 Target Info Inhibitor [1]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Serotonergic synapse
Inflammatory mediator regulation of TRP channelshsa04024:cAMP signaling pathway
Serotonergic synapsehsa04080:Neuroactive ligand-receptor interaction
Cholinergic synapse
Regulation of actin cytoskeletonhsa04020:Calcium signaling pathway
Inflammatory mediator regulation of TRP channelshsa04726:Serotonergic synapsehsa04080:Neuroactive ligand-receptor interaction
Dopaminergic synapsehsa04020:Calcium signaling pathway
Regulation of actin cytoskeleton
Insulin secretion
Salivary secretion
Gastric acid secretion
Pancreatic secretionhsa04060:Cytokine-cytokine receptor interaction
Chemokine signaling pathwayhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Morphine addictionhsa04020:Calcium signaling pathway
Vascular smooth muscle contractionhsa04024:cAMP signaling pathway
Serotonergic synapsehsa04020:Calcium signaling pathway
PI3K-Akt signaling pathway
NetPath Pathway IL2 Signaling PathwayNetPath_17:IL5 Signaling Pathway
TCR Signaling Pathway
IL2 Signaling Pathway
TNFalpha Signaling Pathway
Leptin Signaling PathwayNetPath_11:TCR Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway 5HT2 type receptor mediated signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathwayP00003:Alzheimer disease-amyloid secretase 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
Muscarinic acetylcholine receptor 2 and 4 signaling pathwayP04374:5HT2 type receptor mediated signaling pathwayP04375:5HT3 type receptor mediated signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00031:Inflammation mediated by chemokine and cytokine 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 pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
PathWhiz Pathway Gastric Acid ProductionPW000564:Muscle/Heart Contraction
Reactome Serotonin receptors
G alpha (q) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (i) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
G alpha (i) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (q) signalling eventsR-HSA-975298:Ligand-gated ion channel transportR-HSA-390651:Dopamine receptors
Acetylcholine regulates insulin secretion
G alpha (q) signalling eventsR-HSA-380108:Chemokine receptors bind chemokines
G alpha (i) signalling eventsR-HSA-416476:G alpha (q) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-388479:Vasopressin-like receptors
G alpha (q) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
G alpha (i) signalling events
WikiPathways Serotonin Receptor 2 and STAT3 Signaling
Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
SIDS Susceptibility Pathways
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP722:Serotonin HTR1 Group and FOS Pathway
GPCR downstream signalingWP58:Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
Regulation of Actin Cytoskeleton
GPCR downstream signalingWP732:Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
Iron uptake and transportWP58:Monoamine GPCRs
Nicotine Activity on Dopaminergic Neurons
GPCRs, OtherWP58:Monoamine GPCRs
Integration of energy metabolism
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR downstream signalingWP2664:Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signalingWP80:Nucleotide GPCRs
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP722:Serotonin HTR1 Group and FOS Pathway
Secretion of Hydrochloric Acid in Parietal Cells
GPCRs, Other
References
REF 1J Med Chem. 2008 Nov 27;51(22):7094-8.cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain responses against carrageenan-induced hyperalgesia.

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