Identification

Generic Name
Moxalactam (hydrolyzed)
DrugBank Accession Number
DB04740
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 422.346
Monoisotopic: 422.096144788
Chemical Formula
C18H18N2O10
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UMetallo-beta-lactamase L1Not AvailablePseudomonas 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
Adverseeffects
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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
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

General References
Not Available
PubChem Compound
5288864
PubChem Substance
46507244
ChemSpider
10160158
PDBe Ligand
MX1
PDB Entries
1k6r / 2aio / 6u13 / 6u2y / 6uac

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.362 mg/mLALOGPS
logP1.18ALOGPS
logP1.55ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)2.46ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area192.05 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity95.75 m3·mol-1ChemAxon
Polarizability38.04 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.9863
Blood Brain Barrier-0.9784
Caco-2 permeable-0.6493
P-glycoprotein substrateSubstrate0.7813
P-glycoprotein inhibitor INon-inhibitor0.7001
P-glycoprotein inhibitor IINon-inhibitor0.9355
Renal organic cation transporterNon-inhibitor0.8649
CYP450 2C9 substrateNon-substrate0.8276
CYP450 2D6 substrateNon-substrate0.8549
CYP450 3A4 substrateSubstrate0.5286
CYP450 1A2 substrateNon-inhibitor0.783
CYP450 2C9 inhibitorNon-inhibitor0.8355
CYP450 2D6 inhibitorNon-inhibitor0.9144
CYP450 2C19 inhibitorNon-inhibitor0.7751
CYP450 3A4 inhibitorNon-inhibitor0.825
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8024
Ames testNon AMES toxic0.6139
CarcinogenicityNon-carcinogens0.9207
BiodegradationNot ready biodegradable0.9902
Rat acute toxicity2.4144 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9957
hERG inhibition (predictor II)Non-inhibitor0.8562
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

Drugtargets2
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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