Drug Information

Drug General Information
Drug ID
D0KD9M
Former ID
DNC009138
Drug Name
(S)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530012]
Structure
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2D MOL

3D MOL
Formula
C16H16N2O
Canonical SMILES
C1CNCC1COC2=CC3=C(C=C2)C=C(C=C3)C#N
InChI
1S/C16H16N2O/c17-9-12-1-2-15-8-16(4-3-14(15)7-12)19-11-13-5-6-18-10-13/h1-4,7-8,13,18H,5-6,10-11H2/t13-/m0/s1
InChIKey
PYEILVKGQDUINV-ZDUSSCGKSA-N
PubChem Compound ID
44592198
Target and Pathway
Target(s) Sodium-dependent noradrenaline transporter Target Info Inhibitor [530012]
Sodium-dependent serotonin transporter Target Info Inhibitor [530012]
KEGG Pathway Serotonergic synapse
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway 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
Reactome Na+/Cl- dependent neurotransmitter transporters
WikiPathways Monoamine Transport
NRF2 pathway
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 530012Bioorg Med Chem Lett. 2009 Apr 15;19(8):2329-32. Epub 2009 Feb 20.Design and optimization of selective serotonin re-uptake inhibitors with high synthetic accessibility. Part 1.
Ref 530012Bioorg Med Chem Lett. 2009 Apr 15;19(8):2329-32. Epub 2009 Feb 20.Design and optimization of selective serotonin re-uptake inhibitors with high synthetic accessibility. Part 1.

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