Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0IG4I
|
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| Former ID |
DNC013107
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| Drug Name |
THIOCOLCHICOSIDE
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| Drug Type |
Small molecular drug
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| Indication | Muscle spasm [ICD10:M62.838] | Approved | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C27H33NO10S
|
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| 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
|
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| 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
|
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| InChIKey |
LEQAKWQJCITZNK-MPVWKRLLSA-N
|
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| CAS Number |
CAS 602-41-5
|
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| PubChem Compound ID | |||||
| SuperDrug ATC ID |
M03BX05
|
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| Target and Pathway | |||||
| Target(s) | Glycine receptor alpha-1 chain | Target Info | Inhibitor | [2] | |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric acid receptor subunit beta-2 | Target Info | Inhibitor | [2] | ||
| Glycine receptor | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric acid receptor | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric acid receptor subunit gamma-2 | Target Info | Inhibitor | [2] | ||
| 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 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | ||||
| REF 2 | J 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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