Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0NJ5W
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| Former ID |
DNC008122
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| Drug Name |
CAPROCTAMINE
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| Synonyms |
CAPROCTAMINE; CHEMBL11805; SCHEMBL18398791; BDBM50067482; N,N''''-(octane-1,8-diyl)bis(6-((2-methoxybenzyl)(methyl)amino)-N-methylhexanamide); 6-[(2-Methoxy-benzyl)-methyl-amino]-hexanoic acid [8-({6-[(2-methoxy-benzyl)-methyl-amino]-hexanoyl}-methyl-amino)-octyl]-methyl-amide
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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 |
C40H66N4O4
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| Canonical SMILES |
CN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)CC1=CC=CC=C1OC)CC2=CC=CC=C2OC
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| InChI |
1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3
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| InChIKey |
HDAQKLAKMZNBQB-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [1] |
| Cholinesterase (BCHE) | 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 | Irinotecan Pathway | |||
| Monoamine Transport | ||||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 4. Further investigation on the inne... J Med Chem. 2008 Nov 27;51(22):7308-12. | |||
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