Drug Information

Drug General Information
Drug ID
D0H0DP
Former ID
DNC013109
Drug Name
3-amino-3-demethoxythiocolchicine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528408]
Structure
Download
2D MOL

3D MOL
Formula
C21H24N2O4S
Canonical SMILES
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)N
InChI
1S/C21H24N2O4S/c1-11(24)23-16-7-5-12-9-15(22)20(26-2)21(27-3)19(12)13-6-8-18(28-4)17(25)10-14(13)16/h6,8-10,16H,5,7,22H2,1-4H3,(H,23,24)/t16-/m0/s1
InChIKey
HGWINWYVDWEKKX-INIZCTEOSA-N
PubChem Compound ID
16081784
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [528408]
Gamma-aminobutyric acid receptor subunit beta-2 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 interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
Serotonergic synapse
Nicotine addiction
Reactome 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 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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.