NAV

Zidebactam

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

Identification

Generic Name
Zidebactam
DrugBank Accession Number
DB13090
Background

Zidebactam is under investigation in clinical trial NCT02674347 (MAD Study to Evaluate the Safety, Tolerability and Pharmacokinetics of Intravenous Zidebactam in Healthy Adults).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 391.4
Monoisotopic: 391.11616921
Chemical Formula
C13H21N5O7S
Synonyms
  • Zidebactam
External IDs
  • WCK 5107
  • WCK-5107
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Beta amino acids and derivatives / Piperidinecarboxamides / 1,3-diazepanes / Imidazolidinones / Diacylhydrazines / Organic sulfuric acids and derivatives / Dialkylamines / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
1,3-diazepane / 2-piperidinecarboxamide / 3-piperidinecarboxamide / Aliphatic heteropolycyclic compound / Alpha-amino acid amide / Amine / Azacycle / Beta amino acid or derivatives / Carbonyl group / Carboxylic acid hydrazide
show 16 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YPM97423DB
CAS number
1436861-97-0
InChI Key
YCZPXRQPDCXTIO-BBBLOLIVSA-N
InChI
InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1
IUPAC Name
[(1R,2S,5R)-7-oxo-2-({[(3R)-piperidin-3-yl]formohydrazido}carbonyl)-1,6-diazabicyclo[3.2.1]octan-6-yl]oxidanesulfonic acid
SMILES
OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O

References

General References
Not Available
PubChem Compound
77846445
PubChem Substance
347829214
ChemSpider
44209501

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentAcute Tubulo-Interstitial Nephritis / Complicated Urinary Tract Infection1
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedNot AvailableSerious Gram-negative Infections1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedOtherImpaired Renal Function1

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 Solubility2.13 mg/mLALOGPS
logP-2ALOGPS
logP-3.3Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)-2Chemaxon
pKa (Strongest Basic)9.16Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area157.38 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity85.63 m3·mol-1Chemaxon
Polarizability36.22 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0006-0109000000-35a94932a88cbf34b264
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0449000000-21134fa66d7e8747804e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0096-6951000000-d8171e88ba14a6ecf669
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00c0-3911000000-5d38ca946658d9182253
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-3193000000-41525031fcdc2255aaf8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9221000000-f05c7b1f7401f25245cd
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-173.83061
predicted
DeepCCS 1.0 (2019)
[M+H]+176.22618
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.1387
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:55 / Updated at February 21, 2021 18:54