Drug Information

Drug General Information
Drug ID
D0P2YV
Former ID
DNC012659
Drug Name
SCH-12679
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534738]
Structure
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2D MOL

3D MOL
Formula
C19H23NO2
Canonical SMILES
CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC)OC.C(=CC(=O)O)C(=<br />O)O
InChI
1S/C19H23NO2.C4H4O4/c1-20-10-9-15-11-18(21-2)19(22-3)12-16(15)17(13-20)14-7-5-4-6-8-14;5-3(6)1-2-4(7)8/h4-8,11-12,17H,9-10,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
TYNKKGLBKXZIHX-BTJKTKAUSA-N
PubChem Compound ID
5024
Target and Pathway
Target(s) Dopamine D1 receptor Target Info Inhibitor [534738]
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
Alcoholism
PANTHER Pathway Dopamine receptor mediated signaling pathway
PathWhiz Pathway Dopamine Activation of Neurological Reward System
Reactome Dopamine receptors
G alpha (s) 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 signaling
References
Ref 534738J Med Chem. 1998 Nov 5;41(23):4486-91.Modified ibogaine fragments: synthesis and preliminary pharmacological characterization of 3-ethyl-5-phenyl-1,2,3,4,5, 6-hexahydroazepino[4,5-b]benzothiophenes.
Ref 534738J Med Chem. 1998 Nov 5;41(23):4486-91.Modified ibogaine fragments: synthesis and preliminary pharmacological characterization of 3-ethyl-5-phenyl-1,2,3,4,5, 6-hexahydroazepino[4,5-b]benzothiophenes.

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