Sulopenem
Star0
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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- 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.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
- External Links
- ChemSpider
- 8125855
- ChEMBL
- CHEMBL1908305
- ZINC
- ZINC000005751655
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Complicated Urinary Tract Infection 1 3 Completed Treatment Cystitis / Urinary Tract Infection 1 3 Completed Treatment Intraabdominal Infections 1 2 Completed Treatment Bacterial Pneumonia 1 1 Completed Not Available Pneumonia 1
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 9.29 mg/mL ALOGPS logP -0.21 ALOGPS logP -1.3 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 3.65 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 94.91 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 93.54 m3·mol-1 Chemaxon Polarizability 33.88 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-91590ef2d85123a73eee Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00kb-0905000000-babf479b428994d22226 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ue9-1549000000-dbfa6988c30da5cbeedf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001j-0933000000-7e13c1556b3b3c2cf8cc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01ot-3390000000-88344b9bcd704a02de65 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-006y-5559000000-5d9c56f39d09d6dbbd6b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 188.8144673 predictedDarkChem Lite v0.1.0 [M+H]+ 189.8154673 predictedDarkChem Lite v0.1.0 [M+Na]+ 188.5050673 predictedDarkChem Lite v0.1.0
Drug created at May 20, 2019 15:08 / Updated at February 21, 2021 18:55