Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Q2YJ
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| Former ID |
DNC007853
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| Drug Name |
Phenanthrene-9,10-dione
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| Synonyms |
Phenanthrene-9,10-dione; 9,10-Phenanthrenequinone; 84-11-7; Phenanthrenequinone; 9,10-PHENANTHRENEDIONE; 9,10-Phenanthraquinone; Phenanthraquinone; 9,10-Phenanthroquinone; 9-10 Phenanthrene quinone; UNII-42L7BZ8H74; CCRIS 7615; Phenanthrene, 9,10-dihydro-9,10-dioxo-; HSDB 4489; EINECS 201-515-5; NSC 10446; phenanthrene-9,10-quinone; BRN 0608838; SMR000150826; CHEMBL51931; MLS000881132; MLS000571180; AI3-23739; CHEBI:37454; YYVYAPXYZVYDHN-UHFFFAOYSA-N; 42L7BZ8H74; MFCD00001163; 9,10-dihydrophenanthrene-9,10-dione; AK-96664
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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 |
C14H8O2
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| Canonical SMILES |
C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
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| InChI |
1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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| InChIKey |
YYVYAPXYZVYDHN-UHFFFAOYSA-N
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| CAS Number |
CAS 84-11-7
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:37454
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholinesterase (BCHE) | Target Info | Inhibitor | [1] |
| Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | 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 | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | Irinotecan Pathway | |||
| NRF2 pathway | ||||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| 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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