Drug Information

Drug General Information
Drug ID
D0KS0I
Former ID
DNC009235
Drug Name
WAY-256805
Drug Type
Small molecular drug
Indication Pain [ICD9: 338, 356.0, 356.8,780; ICD10:G64, G90.0, R52, G89] Investigative [529536]
Structure
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2D MOL

3D MOL
Formula
C20H31Cl2F3N2O2
Canonical SMILES
CN1CCN(CC1)CC(C2=CC(=CC=C2)OC(F)(F)F)C3(CCCCC3)O.Cl.Cl
InChI
1S/C20H29F3N2O2.2ClH/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23;;/h5-7,14,18,26H,2-4,8-13,15H2,1H3;2*1H/t18-;;/m1../s1
InChIKey
DJVJRXDBDBMWFD-JPKZNVRTSA-N
PubChem Compound ID
24894910
Target and Pathway
Target(s) Sodium-dependent noradrenaline transporter Target Info Inhibitor [529536]
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
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 compounds
References
Ref 529536J Med Chem. 2008 Jul 10;51(13):4038-49. Epub 2008 Jun 17.Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors.
Ref 529536J Med Chem. 2008 Jul 10;51(13):4038-49. Epub 2008 Jun 17.Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors.

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