TD-8954

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

Identification

Name
TD-8954
Accession Number
DB12725
Description

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

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 455.603
Monoisotopic: 455.289640071
Chemical Formula
C25H37N5O3
Synonyms
Not Available

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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
AcenocoumarolThe risk or severity of adverse effects can be increased when TD-8954 is combined with Acenocoumarol.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with TD-8954.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with TD-8954.
AclidiniumTD-8954 may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Agomelatine is combined with TD-8954.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with TD-8954.
AlimemazineThe risk or severity of adverse effects can be increased when Alimemazine is combined with TD-8954.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with TD-8954.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with TD-8954.
AlprazolamThe risk or severity of adverse effects can be increased when Alprazolam is combined with TD-8954.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

Products

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

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
1CompletedNot AvailableUpper gastrointestinal motility disorders1
1, 2CompletedTreatmentEnteral Feeding Intolerance (EFI)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 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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 17:50 / Updated on June 12, 2020 10:53

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