Drug Information

Drug General Information
Drug ID
D06BAC
Former ID
DNC011699
Drug Name
8-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526993]
Formula
C11H11BrN2
Canonical SMILES
C1CNCC2=C1C3=C(N2)C(=CC=C3)Br
InChI
1S/C11H11BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,13-14H,4-6H2
InChIKey
QDAJATJOFYZEDN-UHFFFAOYSA-N
PubChem Compound ID
10467319
Target and Pathway
Target(s) Amine oxidase [flavin-containing] A Target Info Inhibitor [526993]
5-hydroxytryptamine 2A receptor Target Info Inhibitor [526899]
Amine oxidase [flavin-containing] B Target Info Inhibitor [526993]
BioCyc Pathway Superpathway of tryptophan utilization
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
Serotonin degradation
Superpathway of melatonin degradation
Melatonin degradation IIPWY66-401:Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
KEGG Pathway Glycine, serine and threonine metabolism
Arginine and proline metabolism
Histidine metabolism
Tyrosine metabolism
Phenylalanine metabolism
Tryptophan metabolism
Drug metabolism - cytochrome P450
Metabolic pathways
Serotonergic synapse
Dopaminergic synapse
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Inflammatory mediator regulation of TRP channelshsa00260:Glycine, serine and threonine metabolism
Alcoholism
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathwayP04374:5HT2 type receptor mediated signaling pathwayP00001:Adrenaline and noradrenaline biosynthesis
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
PathWhiz Pathway Histidine Metabolism
Tyrosine Metabolism
Glycine and Serine Metabolism
Reactome Norepinephrine Neurotransmitter Release CycleR-HSA-390666:Serotonin receptors
G alpha (q) signalling events
WikiPathways SIDS Susceptibility Pathways
Biogenic Amine Synthesis
Oxidative Stress
Dopamine metabolism
Phase 1 - Functionalization of compounds
Neurotransmitter Release Cycle
Neurotransmitter Clearance In The Synaptic Cleft
Serotonin Transporter ActivityWP733:Serotonin Receptor 2 and STAT3 Signaling
Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP465:Tryptophan metabolism
References
Ref 526993Bioorg Med Chem Lett. 2004 Feb 23;14(4):999-1002.Binding of beta-carbolines at imidazoline I2 receptors: a structure-affinity investigation.
Ref 526899Bioorg Med Chem Lett. 2003 Dec 15;13(24):4421-5.Binding of beta-carbolines at 5-HT(2) serotonin receptors.
Ref 526993Bioorg Med Chem Lett. 2004 Feb 23;14(4):999-1002.Binding of beta-carbolines at imidazoline I2 receptors: a structure-affinity investigation.

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