Drug General Information
Drug ID
D05RII
Former ID
DNC006738
Drug Name
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528151]
Structure
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2D MOL

3D MOL

Formula
C20H21ClN2
Canonical SMILES
C1CN(CCC1C2=CNC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4
InChI
1S/C20H21ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16,22H,8-11,14H2
InChIKey
NRIVFQIOYWIUPX-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528151]
Nociceptin receptor Target Info Inhibitor [528151]
Mu-type opioid receptor Target Info Inhibitor [528151]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 528151Bioorg Med Chem Lett. 2006 Jul 1;16(13):3524-8. Epub 2006 Apr 24.3-(4-Piperidinyl)indoles and 3-(4-piperidinyl)pyrrolo-[2,3-b]pyridines as ligands for the ORL-1 receptor.
Ref 528151Bioorg Med Chem Lett. 2006 Jul 1;16(13):3524-8. Epub 2006 Apr 24.3-(4-Piperidinyl)indoles and 3-(4-piperidinyl)pyrrolo-[2,3-b]pyridines as ligands for the ORL-1 receptor.

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