NAV

Terodiline

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

Identification

Generic Name
Terodiline
DrugBank Accession Number
DB13725
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 281.443
Monoisotopic: 281.214349873
Chemical Formula
C20H27N
Synonyms
  • Terodiline
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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
AbametapirThe serum concentration of Terodiline can be increased when it is combined with Abametapir.
AcarboseThe risk or severity of hypoglycemia can be increased when Terodiline is combined with Acarbose.
AcebutololAcebutolol may increase the arrhythmogenic activities of Terodiline.
AceclofenacThe risk or severity of hyperkalemia can be increased when Aceclofenac is combined with Terodiline.
AcemetacinThe risk or severity of hyperkalemia can be increased when Terodiline is combined with Acemetacin.
Food Interactions
Not Available

Categories

ATC Codes
G04BD05 — Terodiline
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Aralkylamines / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic homomonocyclic compound / Diphenylmethane / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Secondary aliphatic amine / Secondary amine
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
70KG06964W
CAS number
15793-40-5
InChI Key
UISARWKNNNHPGI-UHFFFAOYSA-N
InChI
InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3
IUPAC Name
tert-butyl(4,4-diphenylbutan-2-yl)amine
SMILES
CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C

References

General References
Not Available
Human Metabolome Database
HMDB0240275
ChemSpider
21952
BindingDB
50151868
RxNav
37815
ChEBI
135168
ChEMBL
CHEMBL363295
PharmGKB
PA165817950
Wikipedia
Terodiline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.000317 mg/mLALOGPS
logP5.43ALOGPS
logP5.16Chemaxon
logS-6ALOGPS
pKa (Strongest Basic)10.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity91.53 m3·mol-1Chemaxon
Polarizability34.17 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-066r-9880000000-7df6f2e45a48e46ef9ac
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-9640000000-52070822ca25f9139cc3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-1090000000-e3ae7b8de11261758f9a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-4950000000-4a1c8cc4a2a7b6d84755
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9510000000-d57a50125a578c6c1827
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-3900000000-06dba9e24a0cfd016d4f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-4900000000-8edc1f8660316e37bedd
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]-182.9782809
predicted
DarkChem Lite v0.1.0
[M-H]-172.04411
predicted
DeepCCS 1.0 (2019)
[M+H]+184.1014809
predicted
DarkChem Lite v0.1.0
[M+H]+174.40211
predicted
DeepCCS 1.0 (2019)
[M+Na]+183.2077809
predicted
DarkChem Lite v0.1.0
[M+Na]+181.11528
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 3A4
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Uesawa Y, Takeuchi T, Mohri K: Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17. [Article]

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54