Aurodox
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Identification
- Generic Name
- Aurodox
- DrugBank Accession Number
- DB04124
- Background
Aurodox is an antibiotic obtained from a streptomyces variant considered as possibly effective against streptococcus pyogenes infections. It may promote growth in poultry.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 810.9693
Monoisotopic: 810.430275458 - Chemical Formula
- C44H62N2O12
- Synonyms
- 1-methylmocimycin
- Goldinodox
- Goldinomycin
- External IDs
- Antibiotic X-5108
- X-5108
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UElongation factor Tu-B Not Available Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The risk or severity of bleeding can be increased when Aurodox is combined with Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Aurodox is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Aurodox is combined with Articaine. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Aurodox. Benzocaine The risk or severity of methemoglobinemia can be increased when Aurodox is combined with Benzocaine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- C-glycosyl compounds
- Alternative Parents
- Aryl ketones / Dihydropyridines / Hydroxypyridines / Pyridinones / Alpha-branched alpha,beta-unsaturated ketones / Monosaccharides / N-acyl amines / Oxanes / Acryloyl compounds / Vinylogous amides show 16 more
- Substituents
- Acryloyl-group / Alcohol / Alpha,beta-unsaturated ketone / Alpha-branched alpha,beta-unsaturated-ketone / Aromatic heteromonocyclic compound / Aryl ketone / Azacycle / C-glycosyl compound / Carbonyl group / Carboxamide group show 31 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- PGP5RZH64G
- CAS number
- 12704-90-4
- InChI Key
- NTAHMPNXQOYXSX-WKSONYIQSA-N
- InChI
- InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1
- IUPAC Name
- (2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]oxan-2-yl]butanamide
- SMILES
- [H][C@@]1(O[C@@]([H])([C@H](C)[C@H](OC)C(\C)=C\C=C\CNC(=O)[C@@H](CC)[C@@]2(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O)\C=C\C=C\C=C(/C)C(=O)C1=C(O)C=CN(C)C1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 54688679
- PubChem Substance
- 46506336
- ChemSpider
- 16735686
- ChEMBL
- CHEMBL3221419
- PDBe Ligand
- MAU
- PDB Entries
- 1ha3 / 4v68
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 0.00698 mg/mL ALOGPS logP 4.23 ALOGPS logP 3.5 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 9.49 Chemaxon pKa (Strongest Basic) -2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 215.55 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 227.78 m3·mol-1 Chemaxon Polarizability 88.5 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.5174 Blood Brain Barrier - 0.9659 Caco-2 permeable - 0.6678 P-glycoprotein substrate Substrate 0.7256 P-glycoprotein inhibitor I Non-inhibitor 0.5073 P-glycoprotein inhibitor II Non-inhibitor 0.8819 Renal organic cation transporter Non-inhibitor 0.8987 CYP450 2C9 substrate Non-substrate 0.8498 CYP450 2D6 substrate Non-substrate 0.832 CYP450 3A4 substrate Substrate 0.6324 CYP450 1A2 substrate Non-inhibitor 0.7422 CYP450 2C9 inhibitor Non-inhibitor 0.6948 CYP450 2D6 inhibitor Non-inhibitor 0.8378 CYP450 2C19 inhibitor Non-inhibitor 0.7 CYP450 3A4 inhibitor Non-inhibitor 0.7413 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.6225 Ames test Non AMES toxic 0.6838 Carcinogenicity Non-carcinogens 0.9026 Biodegradation Not ready biodegradable 0.9663 Rat acute toxicity 2.8423 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9922 hERG inhibition (predictor II) Non-inhibitor 0.5697
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsElongation factor Tu-B
- Kind
- Protein
- Organism
- Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
- Pharmacological action
- Unknown
- General Function
- Translation elongation factor activity
- Specific Function
- This protein promotes the GTP-dependent binding of aminoacyl-tRNA to the A-site of ribosomes during protein biosynthesis.
- Gene Name
- tufB
- Uniprot ID
- P60339
- Uniprot Name
- Elongation factor Tu-B
- Molecular Weight
- 44782.015 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52