Drug Information

Drug General Information
Drug ID
D0IG4I
Former ID
DNC013107
Drug Name
THIOCOLCHICOSIDE
Drug Type
Small molecular drug
Indication Muscle spasm [ICD10:M62.838] Approved [551871]
Structure
Download
2D MOL

3D MOL
Formula
C27H33NO10S
Canonical SMILES
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC<br />4C(C(C(C(O4)CO)O)O)O
InChI
1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19?,22?,23?,24?,27?/m0/s1
InChIKey
LEQAKWQJCITZNK-MPVWKRLLSA-N
CAS Number
CAS 602-41-5
PubChem Compound ID
9915886
SuperDrug ATC ID
M03BX05
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]
Gamma-aminobutyric acid receptor subunit beta-2 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]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
Serotonergic synapse
Nicotine addictionhsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
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 transport
GABA A receptor activationR-HSA-975298:Ligand-gated ion channel transportR-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 transportWP2754: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 transport
References
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
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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