Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0F5VY
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| Former ID |
DNC007851
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| Drug Name |
NSC-23180
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| Synonyms |
2-nitrophenanthrene-9,10-dione; 2-Nitro-9,10-phenanthrenedione; 604-95-5; 9,10-Phenanthrenedione, 2-nitro-; NSC-23180; CHEMBL433282; NSC23180; 9, 2-nitro-; 2-nitro-9,10-dihydrophenanthrene-9,10-dione; NSC5425; 2-nitro-9,10-phenanthrenequinone; 2-Nitrophenanthraquinone; AC1Q1ZPU; AC1Q1Y4O; SCHEMBL2599395; AC1L3T23; BDBM22858; CTK8D5611; DTXSID90209161; MolPort-000-824-665; 1,2-Dione-Based Compound, 15; ZINC1686937; NSC-5425; STK246885; AKOS001483088; MCULE-2114795800; BP-22843; SR-01000388930
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C14H7NO4
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| Canonical SMILES |
C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O
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| InChI |
1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
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| InChIKey |
KNAXWOBOCVVMST-UHFFFAOYSA-N
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| CAS Number |
CAS 604-95-5
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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] | |
| Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Cholinergic synapse | ||||
| Drug metabolism - other enzymes | ||||
| Metabolic pathways | ||||
| 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 | |||
| E2F transcription factor network | ||||
| WikiPathways | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| NRF2 pathway | ||||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem. 2007 Nov 15;50(23):5727-34. | |||
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