Sulopenem

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

Identification

Generic Name
Sulopenem
DrugBank Accession Number
DB15284
Background

Sulopenem is under investigation in clinical trial NCT03357614 (Sulopenem Followed by Sulopenem-etzadroxil/Probenecid vs Ertapenem Followed by Cipro for Complicated UTI in Adults).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 349.43
Monoisotopic: 349.011236109
Chemical Formula
C12H15NO5S3
Synonyms
  • Sulopenem
External IDs
  • CP-65207-S
  • CP-70,429
  • CP-70429

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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
XX514BJ1XW
CAS number
120788-07-0
InChI Key
FLSUCZWOEMTFAQ-PRBGKLEPSA-N
InChI
InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1
IUPAC Name
(1R,3S)-3-{[(5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}thiolan-1-ium-1-olate
SMILES
[H][C@]12SC(S[C@H]3CC[S@@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

References

General References
Not Available
ChemSpider
8125855
ChEMBL
CHEMBL1908305
ZINC
ZINC000005751655

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentCystitis / Urinary Tract Infection1
3CompletedTreatmentComplicated Urinary Tract Infection1
3CompletedTreatmentIntraabdominal Infections1
2CompletedTreatmentBacterial Pneumonia1
1CompletedNot AvailablePneumonia1

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 Solubility9.29 mg/mLALOGPS
logP-0.21ALOGPS
logP-1.3Chemaxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.65Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area94.91 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity93.54 m3·mol-1Chemaxon
Polarizability33.88 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/MSsplash10-0udi-0009000000-91590ef2d85123a73eee
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kb-0905000000-babf479b428994d22226
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-1549000000-dbfa6988c30da5cbeedf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-0933000000-7e13c1556b3b3c2cf8cc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-3390000000-88344b9bcd704a02de65
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-006y-5559000000-5d9c56f39d09d6dbbd6b
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]-188.8144673
predicted
DarkChem Lite v0.1.0
[M+H]+189.8154673
predicted
DarkChem Lite v0.1.0
[M+Na]+188.5050673
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 15:08 / Updated at February 21, 2021 18:55