Drug Information

Drug General Information
Drug ID
D0ZH3G
Former ID
DNC003329
Drug Name
3-Methylfentanyl
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551402]
Structure
Download
2D MOL

3D MOL
Formula
C23H30N2O
Canonical SMILES
CCC(=O)N(C1CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
InChIKey
MLQRZXNZHAOCHQ-UHFFFAOYSA-N
CAS Number
CAS 42045-86-3
PubChem Compound ID
61996
PubChem Substance ID
8187834, 10522361, 14778527, 22395862, 43119183, 46509149, 50020323, 50986176, 57314573, 99222780, 104324715, 111978395, 117568260, 125721473, 128613661, 135019820, 137239942, 160964815, 162529403, 175443461, 180100924, 228456773, 241079068, 250103801
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Agonist [551402]
Kappa-type opioid receptor Target Info Agonist [551402]
Mu-type opioid receptor Target Info Agonist [551402]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling 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
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026: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
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 551402Subramanian G, Paterlini MG, Portoghese PS, Ferguson DM: Molecular docking reveals a novel binding site model for fentanyl at the mu-opioid receptor. J Med Chem. 2000 Feb 10;43(3):381-91.
Ref 551402Subramanian G, Paterlini MG, Portoghese PS, Ferguson DM: Molecular docking reveals a novel binding site model for fentanyl at the mu-opioid receptor. J Med Chem. 2000 Feb 10;43(3):381-91.

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