Identification
- Generic Name
- Efaproxiral
- DrugBank Accession Number
- DB08486
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Efaproxiral (DB08486)
- Weight
- Average: 341.4009
Monoisotopic: 341.162708229 - Chemical Formula
- C20H23NO4
- Synonyms
- Efaproxiral
- External IDs
- RSR13
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UHemoglobin subunit alpha Not Available Humans UHemoglobin subunit beta Not Available Humans - 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Efaproxiral is combined with Cinchocaine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- ATC Codes
- L01XD06 — Efaproxiral
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenoxyacetic acid derivatives
- Direct Parent
- Phenoxyacetic acid derivatives
- Alternative Parents
- Phenylacetamides / Anilides / m-Xylenes / Phenoxy compounds / Phenol ethers / N-arylamides / Alkyl aryl ethers / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives / Carboxylic acids show 4 more
- Substituents
- Alkyl aryl ether / Anilide / Aromatic homomonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative / Ether / Hydrocarbon derivative / M-xylene show 14 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J81E81G364
- CAS number
- 131179-95-8
- InChI Key
- BNFRJXLZYUTIII-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
- IUPAC Name
- 2-(4-{[(3,5-dimethylphenyl)carbamoyl]methyl}phenoxy)-2-methylpropanoic acid
- SMILES
- CC1=CC(NC(=O)CC2=CC=C(OC(C)(C)C(O)=O)C=C2)=CC(C)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 122335
- PubChem Substance
- 99444957
- ChemSpider
- 109085
- ChEMBL
- CHEMBL18901
- ZINC
- ZINC000001481819
- PDBe Ligand
- RQ3
- Wikipedia
- Efaproxiral
- PDB Entries
- 1g9v / 5e29
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Breast Cancer / Metastatic Cancer 1 3 Completed Treatment Metastatic Cancer 1 3 Withdrawn Treatment Lung Cancer 1 2 Completed Treatment Lung Cancer 1 1, 2 Completed Treatment Brain and Central Nervous System Tumors 1
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 0.0027 mg/mL ALOGPS logP 3.12 ALOGPS logP 4.39 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 3.56 Chemaxon pKa (Strongest Basic) -4.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.63 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 97.48 m3·mol-1 Chemaxon Polarizability 37.38 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.7011 Blood Brain Barrier + 0.6096 Caco-2 permeable - 0.6625 P-glycoprotein substrate Substrate 0.5 P-glycoprotein inhibitor I Non-inhibitor 0.8023 P-glycoprotein inhibitor II Non-inhibitor 0.6849 Renal organic cation transporter Non-inhibitor 0.936 CYP450 2C9 substrate Non-substrate 0.7444 CYP450 2D6 substrate Non-substrate 0.8027 CYP450 3A4 substrate Substrate 0.6981 CYP450 1A2 substrate Non-inhibitor 0.914 CYP450 2C9 inhibitor Non-inhibitor 0.7024 CYP450 2D6 inhibitor Non-inhibitor 0.938 CYP450 2C19 inhibitor Non-inhibitor 0.8722 CYP450 3A4 inhibitor Non-inhibitor 0.9582 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.6102 Ames test Non AMES toxic 0.8877 Carcinogenicity Non-carcinogens 0.739 Biodegradation Not ready biodegradable 0.9908 Rat acute toxicity 2.3549 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9966 hERG inhibition (predictor II) Non-inhibitor 0.9001
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
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Oxygen transporter activity
- Specific Function
- Involved in oxygen transport from the lung to the various peripheral tissues.
- Gene Name
- HBA1
- Uniprot ID
- P69905
- Uniprot Name
- Hemoglobin subunit alpha
- Molecular Weight
- 15257.405 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Oxygen transporter activity
- Specific Function
- Involved in oxygen transport from the lung to the various peripheral tissues.LVV-hemorphin-7 potentiates the activity of bradykinin, causing a decrease in blood pressure.Spinorphin: functions as an...
- Gene Name
- HBB
- Uniprot ID
- P68871
- Uniprot Name
- Hemoglobin subunit beta
- Molecular Weight
- 15998.34 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at September 15, 2010 21:32 / Updated at January 14, 2023 19:03