NAV

Fasitibant

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

Identification

Generic Name
Fasitibant
DrugBank Accession Number
DB15646
Background

Fasitibant is under investigation in clinical trial NCT02205814 (Fasitibant Intra-articular Injection in Patients With Symptomatic Osteoarthritis of the Knee).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 764.78
Monoisotopic: 763.2805863
Chemical Formula
C36H49Cl2N6O6S
Synonyms
  • 1-piperazinepentanaminium, .delta.-amino-4-((4-(((2,4-dichloro-3-(((2,4-dimethyl-8-quinolinyl)oxy)methyl)phenyl)sulfonyl)amino)tetrahydro-2h-pyran-4-yl)carbonyl)-n,n,n-trimethyl-.epsilon.-oxo-, (.delta.s)-
  • Fasitibant cation
  • Fasitibant ion
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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.
DrugInteraction
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interactions in your software
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Fasitibant.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Fasitibant.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Fasitibant.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Fasitibant.
AlefaceptThe risk or severity of adverse effects can be increased when Alefacept is combined with Fasitibant.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Fasitibant chloride7J764K70IG1157852-02-2ZNHJDJYKDVGQSH-JMAPEOGHSA-M
Fasitibant chloride hydrochloride41ELA1U90I869880-33-1QIAWOUUTKDMGTE-UJXPALLWSA-M

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Quinolines and derivatives / Benzenesulfonamides / Benzenesulfonyl compounds / Dichlorobenzenes / Methylpyridines / Alkyl aryl ethers / Piperazines / Oxanes / Aryl chlorides / Organosulfonamides
show 15 more
Substituents
1,3-dichlorobenzene / 1,4-diazinane / Alkyl aryl ether / Alpha-amino acid amide / Amine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle
show 39 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0WL827Z7AE
CAS number
869939-83-3
InChI Key
FQVSDHOWSLEEKJ-LJAQVGFWSA-N
InChI
InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1
IUPAC Name
[(4S)-4-amino-5-{4-[4-(2,4-dichloro-3-{[(2,4-dimethylquinolin-8-yl)oxy]methyl}benzenesulfonamido)oxane-4-carbonyl]piperazin-1-yl}-5-oxopentyl]trimethylazanium
SMILES
CC1=NC2=C(C=CC=C2OCC2=C(Cl)C=CC(=C2Cl)S(=O)(=O)NC2(CCOCC2)C(=O)N2CCN(CC2)C(=O)[C@@H](N)CCC[N+](C)(C)C)C(C)=C1

References

General References
Not Available
ChemSpider
9673658
BindingDB
50293905
ChEMBL
CHEMBL218427

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOsteoarthritis of the Knee2

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 Solubility0.000436 mg/mLALOGPS
logP0.18ALOGPS
logP-0.5Chemaxon
logS-6.3ALOGPS
pKa (Strongest Acidic)8.74Chemaxon
pKa (Strongest Basic)8.14Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area144.16 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity210.44 m3·mol-1Chemaxon
Polarizability81.05 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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 March 23, 2020 20:16 / Updated at June 12, 2020 16:53