Triptolide

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

Identification

Generic Name
Triptolide
DrugBank Accession Number
DB12025
Background

Triptolide has been used in trials studying the treatment of HIV, Crohn's Disease, Intestinal Diseases, Gastrointestinal Diseases, and Digestive System Diseases, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 360.406
Monoisotopic: 360.157288493
Chemical Formula
C20H24O6
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Adverseeffects
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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
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Triptolide.
AbciximabThe therapeutic efficacy of Abciximab can be decreased when used in combination with Triptolide.
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be decreased when used in combination with Triptolide.
AcetaminophenThe metabolism of Triptolide can be increased when combined with Acetaminophen.
AcetazolamideThe metabolism of Triptolide can be increased when combined with Acetazolamide.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be decreased when used in combination with Triptolide.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Triptolide.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Triptolide.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Triptolide.
AlefaceptThe risk or severity of adverse effects can be increased when Alefacept is combined with Triptolide.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Oxepanes
Sub Class
Not Available
Direct Parent
Oxepanes
Alternative Parents
Butenolides / Enoate esters / Secondary alcohols / Lactones / Cyclic alcohols and derivatives / Oxacyclic compounds / Monocarboxylic acids and derivatives / Epoxides / Dialkyl ethers / Organic oxides
show 2 more
Substituents
2-furanone / Alcohol / Aliphatic heteropolycyclic compound / Alpha,beta-unsaturated carboxylic ester / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cyclic alcohol / Dialkyl ether / Dihydrofuran
show 12 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
oxacycle (CHEBI:9747) / Diterpenoids (C20) (C09204)
Affected organisms
Not Available

Chemical Identifiers

UNII
19ALD1S53J
CAS number
38748-32-2
InChI Key
DFBIRQPKNDILPW-CIVMWXNOSA-N
InChI
InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
IUPAC Name
(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-(propan-2-yl)-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-en-17-one
SMILES
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O

References

General References
Not Available
KEGG Compound
C09204
PubChem Compound
107985
PubChem Substance
347828340
ChemSpider
97099
BindingDB
50241049
ChEBI
9747
ChEMBL
CHEMBL463763
ZINC
ZINC000008234271
Wikipedia
Triptolide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentHuman Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)1
3Unknown StatusPreventionAIDS/HIV problem1
3Unknown StatusTreatmentAutosomal Dominant Polycystic Kidney Disease (ADPKD)1
2, 3Unknown StatusTreatmentCrohn's Disease (CD) / Digestive System Diseases / Gastrointestinal Diseases / Inflammatory Bowel Diseases (IBD) / Intestinal Diseases1
1, 2Unknown StatusTreatmentHuman Immunodeficiency Virus (HIV) Infections1
Not AvailableCompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
Not AvailableTerminatedTreatmentKidney, Polycystic1

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 Solubility0.886 mg/mLALOGPS
logP1.22ALOGPS
logP1.33ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)12.54ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area84.12 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity87.26 m3·mol-1ChemAxon
Polarizability37.14 Å3ChemAxon
Number of Rings7ChemAxon
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
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-03di-0429000000-1df7fd8b89c25073ab2d

Drug created on October 20, 2016 21:12 / Updated on June 12, 2020 16:53