Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E2LR
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| Former ID |
DNC005254
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| Drug Name |
3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
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| Synonyms |
CHEMBL92958; SCHEMBL6989630; 3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole; BDBM50039720
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H25N3
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| Canonical SMILES |
C1CN(CCC1CCC2=C3C=CC=CC3=NN2)CC4=CC=CC=C4
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| InChI |
1S/C21H25N3/c1-2-6-18(7-3-1)16-24-14-12-17(13-15-24)10-11-21-19-8-4-5-9-20(19)22-23-21/h1-9,17H,10-16H2,(H,22,23)
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| InChIKey |
NPZKLBFCTYVTBS-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [1] |
| 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 | ||||
| Pathwhiz Pathway | Phospholipid Biosynthesis | |||
| Pathway Interaction Database | ATF-2 transcription factor network | |||
| WikiPathways | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition. J Med Chem. 2004 Oct 21;47(22):5492-500. | |||
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