Drug Information

Drug General Information
Drug ID
D05QXU
Former ID
DNC012866
Drug Name
1,3-Bis-(3-imidazolidin-2-yl-phenyl)-urea
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527214]
Structure
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2D MOL

3D MOL
Formula
C19H20N6O
Canonical SMILES
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
InChI
1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
InChIKey
SCEVFJUWLLRELN-UHFFFAOYSA-N
PubChem Compound ID
21389
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [527214]
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 527214J Med Chem. 2004 Sep 23;47(20):4818-28.Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
Ref 527214J Med Chem. 2004 Sep 23;47(20):4818-28.Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.

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