Drug Information

Drug General Information
Drug ID
D08OFG
Former ID
DNC009461
Drug Name
BARETTIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528498]
Structure
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2D MOL

3D MOL
Formula
C17H19BrN6O2
Canonical SMILES
C1=CC2=C(C=C1Br)NC=C2C=C3C(=O)NC(C(=O)N3)CCCN=C(N)N
InChI
1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6-/t12-/m0/s1
InChIKey
YYFNNPXWRXQUPR-JVXNRYDGSA-N
PubChem Compound ID
6443502
Target and Pathway
Target(s) 5-hydroxytryptamine 2C receptor Target Info Inhibitor [528498]
5-hydroxytryptamine 4 receptor Target Info Inhibitor [528498]
5-hydroxytryptamine 2A receptor Target Info Inhibitor [528498]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Serotonergic synapse
Inflammatory mediator regulation of TRP channelshsa04020:Calcium signaling pathway
cAMP signaling pathway
Serotonergic synapsehsa04020:Calcium signaling pathway
Inflammatory mediator regulation of TRP channels
PANTHER Pathway 5HT2 type receptor mediated signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT4 type receptor mediated signaling pathwayP04374:5HT2 type receptor mediated signaling pathway
PathWhiz Pathway Excitatory Neural Signalling Through 5-HTR 4 and Serotonin
Reactome Serotonin receptors
G alpha (q) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (s) signalling eventsR-HSA-390666:Serotonin receptors
G alpha (q) signalling events
WikiPathways 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 signalingWP734:Serotonin Receptor 4/6/7 and NR3C Signaling
GPCR downstream signalingWP733:Serotonin Receptor 2 and STAT3 Signaling
SIDS Susceptibility Pathways
GPCR downstream signaling
GPCRs, Other
References
Ref 528498J Nat Prod. 2006 Oct;69(10):1421-4.Brominated cyclodipeptides from the marine sponge Geodia barretti as selective 5-HT ligands.
Ref 528498J Nat Prod. 2006 Oct;69(10):1421-4.Brominated cyclodipeptides from the marine sponge Geodia barretti as selective 5-HT ligands.

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