Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ST5U
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| Former ID |
DNC013783
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| Drug Name |
Galanthamine derivative
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| Synonyms |
GALANTHAMINE DERIVATIVE; (4AR,6S,8AR)-11-[8-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OCTYL]-6-HYDROXY-3-METHOXY-5,6,9,10-TETRAHYDRO-4AH-[1]BENZOFURO[3A,3,2-EF][2]BENZAZEPIN-11-IUM; galanthamine deriv. 4d; 1w4l; Galanthamine derivative 3; CHEMBL490866; BDBM10406; DB02673; (4aS,8aS)-3-Methoxy-6beta-hydroxy-11-[8-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)octyl]-4aalpha,5,9,10-tetrahydro-6H-benzofuro[3a,3,2-ef][2]benzazepine-11-ium
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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 |
C32H37N2O5+
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| Canonical SMILES |
COC1=C2C3=C(C=C1)C=[N+](CCC34C=CC(CC4O2)O)CCCCCCCCN5C(=O)C6=CC=CC=C6C5=O
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| InChI |
1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1
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| InChIKey |
VLGAHTYYCHWLNI-BHRZLAGCSA-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 | Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely... J Med Chem. 2008 Jun 12;51(11):3154-70. | |||
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