Drug Information

Drug General Information
Drug ID
D04RVA
Former ID
DNC013106
Drug Name
3-demethoxy-3-D-lyxopyranosylaminothiocolchicine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528408]
Structure
Download
2D MOL

3D MOL
Formula
C26H32N2O8S
Canonical SMILES
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)NC<br />4C(C(C(CO4)O)O)O
InChI
1S/C26H32N2O8S/c1-12(29)27-16-7-5-13-9-17(28-26-23(33)22(32)19(31)11-36-26)24(34-2)25(35-3)21(13)14-6-8-20(37-4)18(30)10-15(14)16/h6,8-10,16,19,22-23,26,28,31-33H,5,7,11H2,1-4H3,(H,27,29)/t16-,19+,22-,23-,26?/m0/s1
InChIKey
MCKYAFJMJJFRCX-NFKHFCJPSA-N
PubChem Compound ID
16043019
Target and Pathway
Target(s) Glycine receptor alpha-1 chain Target Info Inhibitor [528408]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [528408]
Glycine receptor Target Info Inhibitor [528408]
Gamma-aminobutyric acid receptor Target Info Inhibitor [528408]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [528408]
Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [528408]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
Serotonergic synapse
Nicotine addiction
Reactome Ligand-gated ion channel transportR-HSA-975298:Ligand-gated ion channel transport
GABA A receptor activationR-HSA-975298:Ligand-gated ion channel transportR-HSA-975298:Ligand-gated ion channel transport
GABA A receptor activationR-HSA-975298:Ligand-gated ion channel transport
GABA A receptor activation
WikiPathways SIDS Susceptibility Pathways
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP2670:Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transport
References
Ref 528408J Med Chem. 2006 Sep 7;49(18):5571-7.3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds.
Ref 528408J Med Chem. 2006 Sep 7;49(18):5571-7.3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds.

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