NAV

LB-100

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

Identification

Generic Name
LB-100
DrugBank Accession Number
DB15412
Background

LB-100 is under investigation in clinical trial NCT03886662 (A Study of LB-100 in Patients With Low or Intermediate-1 Risk Myelodysplastic Syndromes (MDS)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 268.313
Monoisotopic: 268.142307132
Chemical Formula
C13H20N2O4
Synonyms
Not Available
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
0C1JUU9S0L
CAS number
1632032-53-1
InChI Key
JUQMLSGOTNKJKI-IZUQBHJASA-N
InChI
InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1
IUPAC Name
(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILES
CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@@H](O2)C1C(O)=O

References

General References
Not Available
ChemSpider
58170896

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedBasic ScienceAstrocytoma, Grades II, III and IV / Giant Cell Glioblastoma / Glioblastoma Multiforme (GBM) / Glioma / Oligodendroglioma1
1CompletedTreatmentCancer / Neoplasm / Tumor1
1Not Yet RecruitingTreatmentMetastatic Colorectal Cancer (CRC)1
1Not Yet RecruitingTreatmentMetastatic Microsatellite Stable Colorectal Cancer1
1RecruitingTreatmentExtensive-stage Small Cell Lung Cancer (SCLC)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
PropertyValueSource
Water Solubility254.0 mg/mLALOGPS
logP-0.97ALOGPS
logP-3.3Chemaxon
logS-0.02ALOGPS
pKa (Strongest Acidic)4Chemaxon
pKa (Strongest Basic)6.93Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area70.08 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity67.27 m3·mol-1Chemaxon
Polarizability27.89 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/MSsplash10-014i-0090000000-c76069dedc9cd2680028
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01b9-0090000000-e0fe8a96932532c343ac
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0v00-0290000000-818eebc62b7b4ad740bc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xs-3190000000-7a85e271de4abccf163a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-9330000000-62b1eeebfe6eb6189205
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-5950000000-d3b88cfa672a837b7383
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:26 / Updated at June 12, 2020 16:53