Drug Information

Drug General Information
Drug ID
D00HIG
Former ID
DNC003325
Drug Name
3-Methylthiofentanyl
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551408]
Structure
Download
2D MOL

3D MOL
Formula
C21H28N2OS
Canonical SMILES
CCC(=O)N(C1CCN(CC1C)CCC2=CC=CS2)C3=CC=CC=C3
InChI
1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3
InChIKey
SRARDYUHGVMEQI-UHFFFAOYSA-N
CAS Number
CAS 86052-04-2
PubChem Compound ID
62296
PubChem Substance ID
43119429, 46506995, 78846170, 87218454, 87246623, 104325415, 117568251, 135020144, 135770465, 137237333, 160964706, 164762907, 175443465, 227922902, 242576424
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Agonist [551408]
Kappa-type opioid receptor Target Info Agonist [551408]
Delta-type opioid receptor Target Info Agonist [551408]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04080:Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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
Enkephalin releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathway
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 TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 551408You HJ, Colpaert FC, Arendt-Nielsen L: The novel analgesic and high-efficacy 5-HT1A receptor agonist F 13640 inhibits nociceptive responses, wind-up, and after-discharges in spinal neurons and withdrawal reflexes. Exp Neurol. 2005 Jan;191(1):174-83.
Ref 551408You HJ, Colpaert FC, Arendt-Nielsen L: The novel analgesic and high-efficacy 5-HT1A receptor agonist F 13640 inhibits nociceptive responses, wind-up, and after-discharges in spinal neurons and withdrawal reflexes. Exp Neurol. 2005 Jan;191(1):174-83.

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