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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomy2-HYDROXY-1,4-NAPHTHOQUINONE
Identification
- Name
- 2-HYDROXY-1,4-NAPHTHOQUINONE
- Accession Number
- DB04744
- Type
- Small Molecule
- Groups
- Experimental
- Description
- Not Available
- Structure
Structure for DB04744 (2-HYDROXY-1,4-NAPHTHOQUINONE)
- Synonyms
- Not Available
- External IDs
- NSC-27285 / NSC-52500 / NSC-8625
- Categories
- UNII
- TLH4A6LV1W
- CAS number
- Not Available
- Weight
- Average: 174.1528
Monoisotopic: 174.031694058 - Chemical Formula
- C10H6O3
- InChI Key
- CSFWPUWCSPOLJW-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
- IUPAC Name
- 2-hydroxy-1,4-dihydronaphthalene-1,4-dione
- SMILES
- OC1=CC(=O)C2=CC=CC=C2C1=O
Pharmacology
- Indication
- Not Available
- Pharmacodynamics
- Not Available
- Mechanism of action
- Not Available
- Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half life
- Not Available
- Clearance
- Not Available
- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction Drug group Agmatine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Agmatine. Experimental, Investigational Amiodarone The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Amiodarone. Approved, Investigational Amlodipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Amlodipine. Approved Amphotericin B The therapeutic efficacy of Amphotericin B can be decreased when used in combination with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Amrinone The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Amrinone. Approved Aranidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Aranidipine. Approved, Investigational Azelnidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Azelnidipine. Approved, Investigational Azimilide The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Azimilide. Investigational Barnidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Barnidipine. Approved Bencyclane The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Bencyclane. Experimental Benidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Benidipine. Approved, Investigational Bepridil The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Bepridil. Approved, Withdrawn Bioallethrin The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Bioallethrin. Approved, Experimental Buspirone The metabolism of Buspirone can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Busulfan The serum concentration of Busulfan can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Carboxyamidotriazole The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Carboxyamidotriazole. Investigational Caroverine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Caroverine. Experimental Cilnidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Cilnidipine. Approved, Investigational Cinnarizine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Cinnarizine. Approved, Investigational Cisapride The serum concentration of Cisapride can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational, Withdrawn Clevidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Clevidipine. Approved, Investigational Cyclandelate The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Cyclandelate. Approved Cyclosporine The metabolism of Cyclosporine can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational, Vet Approved Darodipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Darodipine. Experimental Didanosine Didanosine can cause a decrease in the absorption of 2-HYDROXY-1,4-NAPHTHOQUINONE resulting in a reduced serum concentration and potentially a decrease in efficacy. Approved Diltiazem The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Diltiazem. Approved, Investigational Docetaxel The metabolism of Docetaxel can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Dofetilide The serum concentration of Dofetilide can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Dotarizine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Dotarizine. Investigational Efonidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Efonidipine. Approved, Investigational Eperisone The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Eperisone. Approved, Investigational Ethosuximide The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Ethosuximide. Approved Etravirine The serum concentration of Etravirine can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved Felodipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Felodipine. Approved, Investigational Fendiline The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Fendiline. Withdrawn Fish oil The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Fish oil. Approved, Nutraceutical Flunarizine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Flunarizine. Approved Fluspirilene The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Fluspirilene. Approved, Investigational Fosphenytoin The serum concentration of 2-HYDROXY-1,4-NAPHTHOQUINONE can be decreased when it is combined with Fosphenytoin. Approved, Investigational Gabapentin The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Gabapentin. Approved, Investigational Gallopamil The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Gallopamil. Investigational Isradipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Isradipine. Approved, Investigational Lacidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Lacidipine. Approved, Investigational Lamotrigine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Lamotrigine. Approved, Investigational Lercanidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Lercanidipine. Approved, Investigational Levetiracetam The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Levetiracetam. Approved, Investigational Lidoflazine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Lidoflazine. Experimental Loperamide The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Loperamide. Approved Losartan The metabolism of Losartan can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved Magnesium sulfate The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Magnesium sulfate. Approved, Investigational, Vet Approved Manidipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Manidipine. Approved, Investigational Menthol The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Menthol. Approved Methsuximide The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Methsuximide. Approved Mibefradil The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Mibefradil. Investigational, Withdrawn Naftopidil The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Naftopidil. Investigational Nicardipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nicardipine. Approved, Investigational Nifedipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nifedipine. Approved Niguldipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Niguldipine. Experimental Niludipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Niludipine. Experimental Nilvadipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nilvadipine. Approved, Investigational Nimesulide The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nimesulide. Approved, Investigational, Withdrawn Nimodipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nimodipine. Approved, Investigational Nisoldipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nisoldipine. Approved Nitrendipine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nitrendipine. Approved, Investigational Nylidrin The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Nylidrin. Approved Otilonium The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Otilonium. Experimental, Investigational Phenytoin The serum concentration of Phenytoin can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Vet Approved Pinaverium The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Pinaverium. Approved Prenylamine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Prenylamine. Withdrawn Progesterone The absorption of Progesterone can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Vet Approved Quinidine The serum concentration of Quinidine can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Ranolazine The serum concentration of Ranolazine can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Rifabutin The serum concentration of Rifabutin can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Rifampicin The serum concentration of Rifampicin can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved Rifapentine The serum concentration of Rifapentine can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Rifaximin The serum concentration of Rifaximin can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Seletracetam The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Seletracetam. Investigational Solifenacin The metabolism of Solifenacin can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved Sucralfate Sucralfate can cause a decrease in the absorption of 2-HYDROXY-1,4-NAPHTHOQUINONE resulting in a reduced serum concentration and potentially a decrease in efficacy. Approved Sunitinib The metabolism of Sunitinib can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Tacrolimus The metabolism of Tacrolimus can be decreased when combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved, Investigational Terodiline The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Terodiline. Experimental Tetrahydropalmatine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Tetrahydropalmatine. Investigational Tolfenamic Acid The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Tolfenamic Acid. Approved, Investigational Tranilast The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Tranilast. Approved, Investigational Trimebutine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Trimebutine. Approved Trimethadione The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Trimethadione. Approved Verapamil The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Verapamil. Approved Vinpocetine The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Vinpocetine. Investigational WIN 55212-2 The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with WIN 55212-2. Experimental Ziconotide The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Ziconotide. Approved Zolpidem The serum concentration of Zolpidem can be increased when it is combined with 2-HYDROXY-1,4-NAPHTHOQUINONE. Approved Zonisamide The therapeutic efficacy of 2-HYDROXY-1,4-NAPHTHOQUINONE can be increased when used in combination with Zonisamide. Approved, Investigational - Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- PDB Entries
- 2d0e
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.8 mg/mL ALOGPS logP 0.99 ALOGPS logP 0.98 ChemAxon logS -2 ALOGPS pKa (Strongest Acidic) 8.02 ChemAxon pKa (Strongest Basic) -4.2 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 54.37 Å2 ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 48.15 m3·mol-1 ChemAxon Polarizability 16.42 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET features
Property Value Probability Human Intestinal Absorption + 1.0 Blood Brain Barrier + 0.8282 Caco-2 permeable + 0.7343 P-glycoprotein substrate Non-substrate 0.5873 P-glycoprotein inhibitor I Inhibitor 0.5 P-glycoprotein inhibitor II Non-inhibitor 0.8995 Renal organic cation transporter Non-inhibitor 0.8735 CYP450 2C9 substrate Non-substrate 0.7873 CYP450 2D6 substrate Non-substrate 0.9245 CYP450 3A4 substrate Non-substrate 0.6861 CYP450 1A2 substrate Inhibitor 0.9206 CYP450 2C9 inhibitor Inhibitor 0.7177 CYP450 2D6 inhibitor Non-inhibitor 0.8078 CYP450 2C19 inhibitor Non-inhibitor 0.7624 CYP450 3A4 inhibitor Non-inhibitor 0.9078 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.5311 Ames test AMES toxic 0.9107 Carcinogenicity Non-carcinogens 0.9077 Biodegradation Not ready biodegradable 0.8819 Rat acute toxicity 3.0215 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9541 hERG inhibition (predictor II) Non-inhibitor 0.931
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Naphthoquinones
- Direct Parent
- Naphthoquinones
- Alternative Parents
- Quinones / Aryl ketones / Vinylogous acids / Enols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Naphthoquinone / Aryl ketone / Quinone / Vinylogous acid / Ketone / Enol / Organic oxygen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- naphthoquinone (CHEBI:44401) / alpha-Naphthoquinones (C10368)
Drug created on September 11, 2007 11:49 / Updated on June 02, 2018 07:34