Drug General Information
Drug ID
D0O2OH
Former ID
DNC006353
Drug Name
4-ISOPROPYLPHENSERINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530692]
Structure
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2D MOL

3D MOL

Formula
C23H29N3O2
Canonical SMILES
CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)N(C4C3(CCN4C)C)C
InChI
1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23+/m1/s1
InChIKey
NKJRRVBTMYRXRB-GGAORHGYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [530692]
Cholinesterase Target Info Inhibitor [530692]
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 pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 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 PathwayWP229:Irinotecan Pathway
References
Ref 530692Bioorg Med Chem Lett. 2010 Mar 1;20(5):1718-20. Epub 2010 Jan 20.Design, synthesis, evaluation and QSAR analysis of N(1)-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors.
Ref 530692Bioorg Med Chem Lett. 2010 Mar 1;20(5):1718-20. Epub 2010 Jan 20.Design, synthesis, evaluation and QSAR analysis of N(1)-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors.

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