TD-8954

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
TD-8954
Accession Number
DB12725
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Categories
UNII
35F0Y2W16Q
CAS number
916075-84-8
Weight
Average: 455.603
Monoisotopic: 455.289640071
Chemical Formula
C25H37N5O3
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of adverse effects can be increased when TD-8954 is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of adverse effects can be increased when TD-8954 is combined with (S)-Warfarin.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of serotonin syndrome can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with TD-8954.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when TD-8954 is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with TD-8954.
4-hydroxycoumarinThe risk or severity of adverse effects can be increased when TD-8954 is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with TD-8954.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when TD-8954 is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with TD-8954.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of adverse effects can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline 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.

    Learn more
  • Severity
    Severity

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

    Learn more
  • Evidence Level
    Evidence Level

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

    Learn more
  • Action
    Action

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

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11961293
PubChem Substance
347828920
ChemSpider
10135539
BindingDB
50436989
ChEMBL
CHEMBL2402904

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

Taxonomy

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
Benzimidazole / Piperidinecarboxylic acid / Piperidine / Benzenoid / Methylcarbamate / Azole / Imidazole / Heteroaromatic compound / Carbamic acid ester / Amino acid or derivatives
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:50 / Updated on June 04, 2019 07:42