Identification
- Generic Name
- Picric acid
- DrugBank Accession Number
- DB03651
- Background
Used as antiseptic, astringent, and stimulant for epitheliazation.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Picric acid (DB03651)
- Weight
- Average: 229.1039
Monoisotopic: 228.997099465 - Chemical Formula
- C6H3N3O7
- Synonyms
- Picricum acidum
- Trinitrophenol
Pharmacology
- Indication
Not Available
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Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Prophylaxis of Infection ••• ••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UPentaerythritol tetranitrate reductase Not Available Enterobacter cloacae - 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image San Su Powder 13 g/100g Oral San Su 2019-04-10 Not applicable US 
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Nitrotan Picric acid (0.002 g/1g) + Benzyl alcohol (0.061 g/1g) + Isopropyl alcohol (0.62 g/1g) + Tannic acid (0.015 g/1g) Aerosol, spray Topical Cramer Products, Inc 1992-07-15 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image San Su Picric acid (13 g/100g) Powder Oral San Su 2019-04-10 Not applicable US
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenols
- Sub Class
- Nitrophenols
- Direct Parent
- Nitrophenols
- Alternative Parents
- Nitrobenzenes / Nitroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Allyl-type 1,3-dipolar organic compound / Aromatic homomonocyclic compound / C-nitro compound / Hydrocarbon derivative / Monocyclic benzene moiety / Nitroaromatic compound / Nitrobenzene / Nitrophenol / Organic 1,3-dipolar compound / Organic nitro compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- C-nitro compound (CHEBI:46149)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A49OS0F91S
- CAS number
- 88-89-1
- InChI Key
- OXNIZHLAWKMVMX-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
- IUPAC Name
- 2,4,6-trinitrophenol
- SMILES
- OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 6954
- PubChem Substance
- 46508822
- ChemSpider
- 6688
- BindingDB
- 34612
- 1320642
- ChEBI
- 46149
- ChEMBL
- CHEMBL108541
- ZINC
- ZINC000001883067
- PDBe Ligand
- TNF
- Wikipedia
- Picric_acid
- PDB Entries
- 1gvs / 1vyp / 1vyr / 1vys / 4jew / 4jex / 5k1u / 5k1w
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Aerosol, spray Topical Powder Oral 13 g/100g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.194 mg/mL ALOGPS logP 1.83 ALOGPS logP 1.49 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 2.34 Chemaxon pKa (Strongest Basic) -8.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 149.65 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 47 m3·mol-1 Chemaxon Polarizability 16.94 Å3 Chemaxon Number of Rings 1 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 + 0.9151 Blood Brain Barrier + 0.624 Caco-2 permeable - 0.5066 P-glycoprotein substrate Non-substrate 0.8481 P-glycoprotein inhibitor I Non-inhibitor 0.8236 P-glycoprotein inhibitor II Non-inhibitor 0.9634 Renal organic cation transporter Non-inhibitor 0.9235 CYP450 2C9 substrate Non-substrate 0.7366 CYP450 2D6 substrate Non-substrate 0.8541 CYP450 3A4 substrate Non-substrate 0.5572 CYP450 1A2 substrate Non-inhibitor 0.5154 CYP450 2C9 inhibitor Inhibitor 0.5678 CYP450 2D6 inhibitor Non-inhibitor 0.9346 CYP450 2C19 inhibitor Non-inhibitor 0.8584 CYP450 3A4 inhibitor Non-inhibitor 0.9304 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8322 Ames test Non AMES toxic 0.6697 Carcinogenicity Non-carcinogens 0.5981 Biodegradation Not ready biodegradable 0.8217 Rat acute toxicity 3.4118 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.7701 hERG inhibition (predictor II) Non-inhibitor 0.9483
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 154.8318344 predictedDarkChem Lite v0.1.0 [M-H]- 125.82039 predictedDeepCCS 1.0 (2019) [M+H]+ 154.6468344 predictedDarkChem Lite v0.1.0 [M+H]+ 129.08864 predictedDeepCCS 1.0 (2019) [M+Na]+ 154.5358344 predictedDarkChem Lite v0.1.0 [M+Na]+ 136.75136 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Enterobacter cloacae
- Pharmacological action
- Unknown
- General Function
- Oxidoreductase activity
- Specific Function
- Not Available
- Gene Name
- onr
- Uniprot ID
- P71278
- Uniprot Name
- Pentaerythritol tetranitrate reductase
- Molecular Weight
- 39488.93 Da
Drug created at June 13, 2005 13:24 / Updated at September 28, 2021 21:54