NAV

Terguride

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

Identification

Generic Name
Terguride
DrugBank Accession Number
DB13399
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 340.471
Monoisotopic: 340.226311538
Chemical Formula
C20H28N4O
Synonyms
  • Tergurida
  • Terguride
  • Terguridum
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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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AbametapirThe serum concentration of Terguride can be increased when it is combined with Abametapir.
AcebutololAcebutolol may increase the vasoconstricting activities of Terguride.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Terguride.
AcemetacinThe risk or severity of hypertension can be increased when Terguride is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Terguride.
Food Interactions
Not Available

Products

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International/Other Brands
Teluron

Categories

ATC Codes
G02CB06 — Terguride
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Indoloquinolines
Direct Parent
Indoloquinolines
Alternative Parents
Ergoline and derivatives / Benzoquinolines / Pyrroloquinolines / 3-alkylindoles / Isoindoles and derivatives / Aralkylamines / Benzenoids / Piperidines / Heteroaromatic compounds / Pyrroles
show 7 more
Substituents
3-alkylindole / Alkaloid or derivatives / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzoquinoline / Carbonic acid derivative / Carbonyl group
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
21OJT43Q88
CAS number
37686-84-3
InChI Key
JOAHPSVPXZTVEP-YXJHDRRASA-N
InChI
InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
IUPAC Name
3,3-diethyl-1-[(2R,4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]urea
SMILES
[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CN2C)NC(=O)N(CC)CC

References

General References
Not Available
KEGG Drug
D01348
ChemSpider
392004
BindingDB
50017519
ChEBI
32193
ChEMBL
CHEMBL73151
ZINC
ZINC000003811327
Wikipedia
Terguride

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility0.0875 mg/mLALOGPS
logP2.58ALOGPS
logP2.2Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)15.54Chemaxon
pKa (Strongest Basic)7.51Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area51.37 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity101.19 m3·mol-1Chemaxon
Polarizability39.14 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
MS/MS Spectrum - , positiveLC-MS/MSsplash10-014i-3950000000-ad3481622e42adada941
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0019000000-ae2495704bf7efeba1a6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ou-0092000000-d724f34f4e74ef408170
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0091000000-a1a310c19d87158a5b5b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-6095000000-af4f7d9acf1cd053d74f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-2091000000-4ed319abb53f1bde913e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000l-2090000000-f2c1a488e68fb0541305
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]-188.7027473
predicted
DarkChem Lite v0.1.0
[M-H]-184.10506
predicted
DeepCCS 1.0 (2019)
[M+H]+188.5883473
predicted
DarkChem Lite v0.1.0
[M+H]+186.50063
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.1630473
predicted
DarkChem Lite v0.1.0
[M+Na]+193.08511
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. Zuber R, Anzenbacherova E, Anzenbacher P: Cytochromes P450 and experimental models of drug metabolism. J Cell Mol Med. 2002 Apr-Jun;6(2):189-98. [Article]
  2. Rauschenbach R, Gieschen H, Husemann M, Salomon B, Hildebrand M: Stable expression of human cytochrome P450 3A4 in V79 cells and its application for metabolic profiling of ergot derivatives. Eur J Pharmacol. 1995 Oct 6;293(3):183-90. [Article]
  3. Guengerich FP: Cytochrome P-450 3A4: regulation and role in drug metabolism. Annu Rev Pharmacol Toxicol. 1999;39:1-17. doi: 10.1146/annurev.pharmtox.39.1.1. [Article]

Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54