Drug Information

Drug General Information
Drug ID
D0T4UO
Former ID
DNC002659
Drug Name
(S)-tacrine(10)-hupyridone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL
Formula
C32H44N4O
Canonical SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCCCCNC4CCCC5=C4C=CC(=<br />O)N5
InChI
1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1
InChIKey
ROTFGKJJMRTWBD-MHZLTWQESA-N
PubChem Compound ID
5326967
PubChem Substance ID
7885582, 39299707, 46504905, 75518839, 113905587, 137220277, 144099793, 160967610
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [551374]
KEGG Pathway Glycerophospholipid metabolism
Cholinergic synapse
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer Pathway
References
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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