NAV

Mibampator

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

Identification

Generic Name
Mibampator
DrugBank Accession Number
DB12717
Background

Mibampator has been used in trials studying the treatment of Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 438.6
Monoisotopic: 438.164699802
Chemical Formula
C21H30N2O4S2
Synonyms
  • Mibampator
External IDs
  • LY 451395
  • LY-451395
  • LY451395
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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
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Biphenyls and derivatives
Direct Parent
Biphenyls and derivatives
Alternative Parents
Monocyclic monoterpenoids / Aromatic monoterpenoids / Organosulfonamides / Organic sulfonamides / Aminosulfonyl compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aminosulfonyl compound / Aromatic homomonocyclic compound / Aromatic monoterpenoid / Biphenyl / Hydrocarbon derivative / Monocyclic monoterpenoid / Monoterpenoid / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
A9V5BW73UU
CAS number
375345-95-2
InChI Key
ULRDYYKSPCRXAJ-KRWDZBQOSA-N
InChI
InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1
IUPAC Name
N-[(2R)-2-[4'-(2-methanesulfonamidoethyl)-[1,1'-biphenyl]-4-yl]propyl]propane-2-sulfonamide
SMILES
CC(C)S(=O)(=O)NC[C@H](C)C1=CC=C(C=C1)C1=CC=C(CCNS(C)(=O)=O)C=C1

References

General References
Not Available
PubChem Compound
9889366
PubChem Substance
347828915
ChemSpider
8065037
BindingDB
50330415
ChEMBL
CHEMBL1277001
ZINC
ZINC000000593414
PDBe Ligand
8SO
Wikipedia
Mibampator
PDB Entries
5ybg

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)2

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 Solubility0.00187 mg/mLALOGPS
logP2.59ALOGPS
logP2.52Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)11.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area92.34 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity117.63 m3·mol-1Chemaxon
Polarizability48.71 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-000i-0119500000-5c4e80d3323a9f27a6a3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-a4f0b9bd00bfa829c7e0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-114u-8419300000-7d5242b9b80bc25c26e4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ap0-3494000000-06dede6362a674aa0998
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9200000000-473b03445af618d9c4e8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0190000000-47ad9f08f73f394dd747
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]-230.4810719
predicted
DarkChem Lite v0.1.0
[M-H]-204.95235
predicted
DeepCCS 1.0 (2019)
[M+H]+207.3479
predicted
DeepCCS 1.0 (2019)
[M+Na]+213.26042
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:47 / Updated at February 21, 2021 18:53