NAV

Bersiporocin

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

Identification

Generic Name
Bersiporocin
DrugBank Accession Number
DB18017
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 328.24
Monoisotopic: 327.0905176
Chemical Formula
C15H19Cl2N3O
Synonyms
  • (2r,3s)-2-(3-(4,5-dichloro-1h-benzo(d)imidazol-1-yl)propyl)piperidin-3-ol
  • 3-piperidinol, 2-(3-(4,5-dichloro-1h-benzimidazol-1-yl)propyl)-, (2r,3s)
External IDs
  • DWN-12088
  • DWN12088
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Bersiporocin hydrochlorideQ1X50E5QJL2241808-53-5Not applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
TTU6QSK1G5
CAS number
2241808-52-4
InChI Key
VXCNMWNXDDMFSX-YPMHNXCESA-N
InChI
InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13-/m0/s1
IUPAC Name
(2R,3S)-2-[3-(4,5-dichloro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-3-ol
SMILES
O[C@H]1CCCN[C@@H]1CCCN1C=NC2=C(Cl)C(Cl)=CC=C12

References

General References
Not Available
ChemSpider
115010412
BindingDB
493339
ChEMBL
CHEMBL4802138
PDBe Ligand
F9O
PDB Entries
7y1w

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
1CompletedTreatmentIdiopathic Pulmonary Fibrosis (IPF)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
logP2.74Chemaxon
pKa (Strongest Acidic)14.6Chemaxon
pKa (Strongest Basic)9.98Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area50.08 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity84.88 m3·mol-1Chemaxon
Polarizability34.2 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 06, 2023 21:28 / Updated at September 28, 2023 05:47