Drug Information

Drug General Information
Drug ID
D05BTG
Former ID
DNC004218
Drug Name
3,6-Diphenyl-1-oxa-7-aza-spiro[4.5]decane
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526420]
Structure
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2D MOL

3D MOL
Formula
C20H23NO
Canonical SMILES
C1CC2(CC(CO2)C3=CC=CC=C3)C(NC1)C4=CC=CC=C4
InChI
1S/C20H23NO/c1-3-8-16(9-4-1)18-14-20(22-15-18)12-7-13-21-19(20)17-10-5-2-6-11-17/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19?,20?/m1/s1
InChIKey
WJRYRJACQITXQC-XEVCZEQESA-N
PubChem Compound ID
44324916
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [526420]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measles
PANTHER Pathway CCKR signaling map ST
Reactome G alpha (q) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 526420Bioorg Med Chem Lett. 2002 Oct 7;12(19):2719-22.Spirocyclic NK(1) antagonists II: [4.5]-spiroethers.
Ref 526420Bioorg Med Chem Lett. 2002 Oct 7;12(19):2719-22.Spirocyclic NK(1) antagonists II: [4.5]-spiroethers.

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