Taniborbactam

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

Identification

Generic Name
Taniborbactam
DrugBank Accession Number
DB16338
Background

Taniborbactam is under investigation in clinical trial NCT03840148 (Safety and Efficacy Study of Cefepime/vnrx-5133 in Patients With Complicated Urinary Tract Infections).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 389.26
Monoisotopic: 389.212201
Chemical Formula
C19H28BN3O5
Synonyms
  • Taniborbactam
External IDs
  • VNRX-5133
  • VNRX5133

Pharmacology

Indication

Not Available

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8IGQ156Z07
CAS number
1613267-49-4
InChI Key
PFZUWUXKQPRWAL-NOLJZWGESA-N
InChI
InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16-/m0/s1
IUPAC Name
(3R)-2-hydroxy-3-{2-[(1r,4r)-4-[(2-aminoethyl)amino]cyclohexyl]acetamido}-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
SMILES
NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2CC3=CC=CC(C(O)=O)=C3OB2O)CC1

References

General References
Not Available
ChemSpider
64835199
PDBe Ligand
KJK
PDB Entries
6rtn / 6sp6 / 6td1 / 6yen

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAcute Tubulo-Interstitial Nephritis / Urinary Tract Infection1
3Not Yet RecruitingTreatmentNosocomial Pneumonia / Ventilator Associated Bacterial Pneumonia (VABP)1
1CompletedBasic ScienceBacterial Infections2
1CompletedBasic ScienceHealthy Volunteers (HV)2
1CompletedBasic SciencePharmacokinetics1

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 Solubility0.111 mg/mLALOGPS
logP-0.95ALOGPS
logP-1.7Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.78Chemaxon
pKa (Strongest Basic)10.38Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area133.91 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity99.7 m3·mol-1Chemaxon
Polarizability42.75 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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/MSsplash10-006x-0009000000-800af91444a9755eac82
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-b881dd6948d9f741c5d4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-0209000000-a281feb6a85d248af699
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1109000000-63b7b5d9c2325d555878
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-5928000000-28c84e41d1ced1b82dd4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1957000000-142c9b5a9a756f13c29c
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 20:02 / Updated at February 21, 2021 18:55