Drug Information

Drug General Information
Drug ID
D0P6SY
Former ID
DNC008663
Drug Name
MDL-28618
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529620]
Structure
Download
2D MOL

3D MOL
Formula
C18H18F3NO
Canonical SMILES
CNCC1CC2=CC=CC=C2C1OC3=CC=C(C=C3)C(F)(F)F
InChI
1S/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/m0/s1
InChIKey
BDCMARKCSKLIKU-SUMWQHHRSA-N
PubChem Compound ID
14595987
Target and Pathway
Target(s) Sodium-dependent noradrenaline transporter Target Info Inhibitor [529620]
Sodium-dependent serotonin transporter Target Info Inhibitor [529620]
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 529620Bioorg Med Chem Lett. 2008 Aug 15;18(16):4495-8. Epub 2008 Jul 17.Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with a heterocyclic ring constraint.
Ref 529620Bioorg Med Chem Lett. 2008 Aug 15;18(16):4495-8. Epub 2008 Jul 17.Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with a heterocyclic ring constraint.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.