NAV

Felcisetrag

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

Identification

Generic Name
Felcisetrag
DrugBank Accession Number
DB12725
Background

Felcisetrag (TD-8954) has been used in trials studying the treatment of Enteral Feeding Intolerance and Gastrointestinal Motility Disorder.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 455.603
Monoisotopic: 455.289640071
Chemical Formula
C25H37N5O3
Synonyms
  • Felcisetrag
External IDs
  • TAK-954
  • TD-8954
  • THRX-149699
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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
Integrate drug-drug
interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Felcisetrag.
AcenocoumarolThe risk or severity of adverse effects can be increased when TD-8954 is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Felcisetrag.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Felcisetrag.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Felcisetrag.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzimidazoles
Sub Class
Not Available
Direct Parent
Benzimidazoles
Alternative Parents
Piperidinecarboxylic acids / Benzenoids / Methylcarbamates / Imidazoles / Heteroaromatic compounds / Trialkylamines / Secondary carboxylic acid amides / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Carbamic acid ester / Carbonyl group / Carboxamide group
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
35F0Y2W16Q
CAS number
916075-84-8
InChI Key
MZOITCJKGUIQEI-UHFFFAOYSA-N
InChI
InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)
IUPAC Name
methyl 4-{[4-({[2-(propan-2-yl)-1H-1,3-benzodiazol-7-yl]formamido}methyl)piperidin-1-yl]methyl}piperidine-1-carboxylate
SMILES
COC(=O)N1CCC(CN2CCC(CNC(=O)C3=C4NC(=NC4=CC=C3)C(C)C)CC2)CC1

References

General References
Not Available
PubChem Compound
11961293
PubChem Substance
347828920
ChemSpider
10135539
BindingDB
50436989
ChEMBL
CHEMBL2402904
ZINC
ZINC000043150989

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCoronavirus Disease 2019 (COVID‑19) / Postoperative Gastrointestinal Dysfunction1
2CompletedTreatmentDiabetic Gastroparesis / Idiopathic Gastroparesis1
2TerminatedTreatmentCritically Ill Patients / Enteral Feeding Intolerance (EFI) / Nutrition, Enteral1
1CompletedOtherHealthy Volunteers (HV)3
1CompletedOtherHealthy Volunteers (HV) / Hepatic Impairment1

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 Solubility0.0518 mg/mLALOGPS
logP3.69ALOGPS
logP2.26Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)10.75Chemaxon
pKa (Strongest Basic)9.77Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area90.56 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity129.02 m3·mol-1Chemaxon
Polarizability52.73 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0a4i-0000900000-6e5202b72ee32266131c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uk9-0000900000-508d53033c0e99ce0aef
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0014900000-f7213db1185674b83179
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4j-0005900000-97c37e674dc66acafb3b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-053r-8649600000-6641606277a2b443d4db
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxs-0139100000-790a45cb3167d7fe725c
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]-210.32147
predicted
DeepCCS 1.0 (2019)
[M+H]+212.67946
predicted
DeepCCS 1.0 (2019)
[M+Na]+219.06322
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:50 / Updated at August 13, 2021 04:44