Drug General Information
Drug ID
D03ZFX
Former ID
DNC013564
Drug Name
D-254C
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529287]
Structure
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2D MOL

3D MOL

Formula
C27H32N2O
Canonical SMILES
C1CC(NCC1NCC(CC2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
1S/C27H32N2O/c30-25(18-21-10-4-1-5-11-21)20-28-24-16-17-26(29-19-24)27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24-,25+,26-/m0/s1
InChIKey
YKFRXVGLZNKBAS-NXCFDTQHSA-N
PubChem Compound ID
Target and Pathway
Target(s) Sodium-dependent dopamine transporter Target Info Inhibitor [529287]
Sodium-dependent noradrenaline transporter Target Info Inhibitor [529287]
Sodium-dependent serotonin transporter Target Info Inhibitor [529287]
KEGG Pathway Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04726:Serotonergic synapse
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathwayP00001:Adrenaline and noradrenaline biosynthesisP04373:5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
Reactome Na+/Cl- dependent neurotransmitter transportersR-HSA-442660:Na+/Cl- dependent neurotransmitter transporters
WikiPathways Monoamine Transport
NRF2 pathway
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 CleftWP727:Monoamine Transport
Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compoundsWP727:Monoamine Transport
SIDS Susceptibility Pathways
Synaptic Vesicle Pathway
Serotonin Transporter Activity
References
Ref 529287Bioorg Med Chem. 2008 Mar 15;16(6):2769-78. Epub 2008 Jan 11.Further structural optimization of cis-(6-benzhydryl-piperidin-3-yl)-benzylamine and 1,4-diazabicyclo[3.3.1]nonane derivatives by introducing an exocyclic hydroxyl group: interaction with dopamine, serotonin, and norepinephrine transporters.
Ref 529287Bioorg Med Chem. 2008 Mar 15;16(6):2769-78. Epub 2008 Jan 11.Further structural optimization of cis-(6-benzhydryl-piperidin-3-yl)-benzylamine and 1,4-diazabicyclo[3.3.1]nonane derivatives by introducing an exocyclic hydroxyl group: interaction with dopamine, serotonin, and norepinephrine transporters.

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