Penimepicycline
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Penimepicycline
- DrugBank Accession Number
- DB13264
- Background
Penimepicycline is a tetracycline-class antibiotic. It is mentioned on List A produced by the Government of Canada, which is a list of antimicrobial active pharmaceutical ingredients 1. In the classification of the active ingredients included on this list, the classification document states that tetracycline class antibiotics are of medium importance, and are used in humans 2.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 937.03
Monoisotopic: 936.357521681 - Chemical Formula
- C45H56N6O14S
- Synonyms
- Duamine
- Hydrocycline
- Mepicycline penicillinate
- Penetracyne
- Penimepiciclina
- Penimepicycline
- Pénimépicycline
- Penimepicyclinum
- Pipacycline-penicillin V
- Pipacycline/penicillin V
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
- 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
- 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
- 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 Penimepicycline may increase the anticoagulant activities of Acenocoumarol. Acitretin The risk or severity of pseudotumor cerebri can be increased when Acitretin is combined with Penimepicycline. Alitretinoin The risk or severity of pseudotumor cerebri can be increased when Alitretinoin is combined with Penimepicycline. Almasilate Almasilate can cause a decrease in the absorption of Penimepicycline resulting in a reduced serum concentration and potentially a decrease in efficacy. Aluminium Aluminium can cause a decrease in the absorption of Penimepicycline resulting in a reduced serum concentration and potentially a decrease in efficacy. - Food Interactions
- Not Available
Categories
- ATC Codes
- J01AA10 — Penimepicycline
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Tetracyclines
- Sub Class
- Not Available
- Direct Parent
- Tetracyclines
- Alternative Parents
- Dipeptides / Naphthacenes / Anthracenecarboxylic acids and derivatives / Penicillins / N-acyl-alpha amino acids and derivatives / Tetralins / Aryl ketones / Phenol ethers / Phenoxy compounds / 1-hydroxy-2-unsubstituted benzenoids show 24 more
- Substituents
- 1,2-aminoalcohol / 1,4-diazinane / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Alcohol / Alkanolamine / Alkyl aryl ether / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine show 51 more
- Molecular Framework
- Not Available
- External Descriptors
- penicillinate salt (CHEBI:75258)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3RGQ4B6E87
- CAS number
- 4599-60-4
- InChI Key
- MEGKRPMNPGTIIG-VNYBMUHKSA-N
- InChI
- InChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1
- IUPAC Name
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
- SMILES
- [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O
References
- General References
- External Links
- KEGG Drug
- D07233
- ChemSpider
- 12977481
- ChEBI
- 75258
- ChEMBL
- CHEMBL3833378
- Wikipedia
- Penimepicycline
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 8.04 mg/mL ALOGPS logP -0.7 ALOGPS logP -4.5 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 3.34 Chemaxon pKa (Strongest Basic) 9.27 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 194.34 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 154.26 m3·mol-1 Chemaxon Polarizability 61.87 Å3 Chemaxon Number of Rings 8 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 273.1193 predictedDeepCCS 1.0 (2019) [M+H]+ 274.82556 predictedDeepCCS 1.0 (2019) [M+Na]+ 280.9824 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54