Penimepicycline

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Penimepicycline
Accession Number
DB13264
Type
Small Molecule
Groups
Experimental
Description

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.

Structure
Thumb
Synonyms
  • penimepiciclina
  • Penimepicycline
Categories
UNII
3RGQ4B6E87
CAS number
4599-60-4
Weight
Average: 937.03
Monoisotopic: 936.357521681
Chemical Formula
C45H56N6O14S
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
CC1(C)S[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O.CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(=O)NCN2CCN(CCO)CC2)=C1O

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
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Penimepicycline is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Penimepicycline is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Penimepicycline is combined with 4-hydroxycoumarin.
4-OxoretinolThe risk or severity of pseudotumor cerebri and elevated intracranial pressure can be increased when 4-Oxoretinol is combined with Penimepicycline.
AcenocoumarolThe risk or severity of bleeding can be increased when Penimepicycline is combined with Acenocoumarol.
Acetylcysteine zincAcetylcysteine zinc can cause a decrease in the absorption of Penimepicycline resulting in a reduced serum concentration and potentially a decrease in efficacy.
AcetyldigoxinPenimepicycline can cause an increase in the absorption of Acetyldigoxin resulting in an increased serum concentration and potentially a worsening of adverse effects.
AcitretinThe risk or severity of pseudotumor cerebri and elevated intracranial pressure can be increased when Acitretin is combined with Penimepicycline.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Penimepicycline.
AlcuroniumThe therapeutic efficacy of Alcuronium can be increased when used in combination with Penimepicycline.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
  1. Health Canada Approved ingredients list [Link]
  2. Categorizing Antimicrobials on List A Government of Canada [Link]
External Links
ChemSpider
12977481
ChEBI
75258
ChEMBL
CHEMBL3833378
Wikipedia
Penimepicycline
ATC Codes
J01AA10 — Penimepicycline

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility8.04 mg/mLALOGPS
logP-0.7ALOGPS
logP-4.2ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)3ChemAxon
pKa (Strongest Basic)8.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area194.34 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity154.26 m3·mol-1ChemAxon
Polarizability61.49 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Tetracycline / Alpha-dipeptide / Tetracene / Naphthacene / Anthracene carboxylic acid or derivatives / Penicillin / N-acyl-alpha amino acid or derivatives / Tetralin / Alpha-amino acid or derivatives / Penam
show 51 more
Molecular Framework
Not Available
External Descriptors
penicillinate salt (CHEBI:75258)

Drug created on June 23, 2017 14:38 / Updated on June 04, 2019 07:49