Drug General Information
Drug ID
D0TA8F
Former ID
DNC013747
Drug Name
(S,S)-oxandrine hydrochloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551356]
Structure
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2D MOL

3D MOL

Formula
C37H39ClN2O7
Canonical SMILES
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)C(<br />=O)C6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC.Cl
InChI
1S/C37H38N2O7.ClH/c1-38-12-11-22-18-32(45-5)36(42)37-33(22)27(38)15-20-6-9-29(43-3)26(14-20)25-16-23(7-8-28(25)40)35(41)34-24-19-31(46-37)30(44-4)17-21(24)10-13-39(34)2;/h6-9,14,16-19,27,34,40,42H,10-13,15H2,1-5H3;1H/t27-,34-;/m0./s1
InChIKey
HEISNSAKVPLJDD-LUKLCJSZSA-N
PubChem Compound ID
Target and Pathway
Target(s) Dopamine D1 receptor Target Info Inhibitor [551356]
D(2) dopamine receptor Target Info Inhibitor [551356]
KEGG Pathway Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Morphine addiction
Alcoholismhsa04015:Rap1 signaling pathway
Alcoholism
PANTHER Pathway Dopamine receptor mediated signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Dopamine receptor mediated signaling pathway
Nicotine pharmacodynamics pathway
PathWhiz Pathway Dopamine Activation of Neurological Reward System
Reactome Dopamine receptors
G alpha (s) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (i) signalling events
WikiPathways Hypothetical Network for Drug Addiction
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Genes and (Common) Pathways Underlying Drug Addiction
GPCR ligand binding
GPCR downstream signalingWP666:Hypothetical Network for Drug Addiction
GPCR downstream signaling
Nicotine Activity on Dopaminergic Neurons
References
Ref 551356Displacement activity of bisbenzylisoquinoline alkaloids at striatal 3H-SCH 23390 and 3H-raclopride binding sites. J Nat Prod. 1992 Sep;55(9):1281-6.
Ref 551356Displacement activity of bisbenzylisoquinoline alkaloids at striatal 3H-SCH 23390 and 3H-raclopride binding sites. J Nat Prod. 1992 Sep;55(9):1281-6.

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