Moxalactam (hydrolyzed)
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Identification
- Generic Name
- Moxalactam (hydrolyzed)
- DrugBank Accession Number
- DB04740
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 422.346
Monoisotopic: 422.096144788 - Chemical Formula
- C18H18N2O10
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UMetallo-beta-lactamase L1 Not Available Pseudomonas maltophilia - 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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- ZTOQXKUYWZBJLG-LIXBPZJASA-N
- InChI
- InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16+,18+/m0/s1
- IUPAC Name
- (2R)-2-{carboxy[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetamido]methoxymethyl}-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
- SMILES
- [H]N(C(=O)[C@@H](C(O)=O)C1=CC=C(O)C=C1)C(OC)(C(O)=O)[C@@]1([H])OCC(=C)C(=N1)C(O)=O
References
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.362 mg/mL ALOGPS logP 1.18 ALOGPS logP 1.55 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 2.46 Chemaxon pKa (Strongest Basic) -3.9 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 192.05 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 95.75 m3·mol-1 Chemaxon Polarizability 38.04 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.9863 Blood Brain Barrier - 0.9784 Caco-2 permeable - 0.6493 P-glycoprotein substrate Substrate 0.7813 P-glycoprotein inhibitor I Non-inhibitor 0.7001 P-glycoprotein inhibitor II Non-inhibitor 0.9355 Renal organic cation transporter Non-inhibitor 0.8649 CYP450 2C9 substrate Non-substrate 0.8276 CYP450 2D6 substrate Non-substrate 0.8549 CYP450 3A4 substrate Substrate 0.5286 CYP450 1A2 substrate Non-inhibitor 0.783 CYP450 2C9 inhibitor Non-inhibitor 0.8355 CYP450 2D6 inhibitor Non-inhibitor 0.9144 CYP450 2C19 inhibitor Non-inhibitor 0.7751 CYP450 3A4 inhibitor Non-inhibitor 0.825 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8024 Ames test Non AMES toxic 0.6139 Carcinogenicity Non-carcinogens 0.9207 Biodegradation Not ready biodegradable 0.9902 Rat acute toxicity 2.4144 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9957 hERG inhibition (predictor II) Non-inhibitor 0.8562
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0ab9-0301900000-e771c97850a38fe9b51f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00fs-0846900000-f5d48f1069278ebc178b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01vp-1920100000-cc8d89c5cc5016c93aad Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001r-1921000000-d92a7d1ab9957cf9413e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-2910000000-48ba346c62b3baa170a9 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0540-1902000000-63c109ff25f7933c135a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsMetallo-beta-lactamase L1
- Kind
- Protein
- Organism
- Pseudomonas maltophilia
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Has a high activity against imipenem.
- Gene Name
- Not Available
- Uniprot ID
- P52700
- Uniprot Name
- Metallo-beta-lactamase L1
- Molecular Weight
- 30800.635 Da
Drug created at September 11, 2007 17:49 / Updated at June 12, 2020 16:52