NAV

Ingenol disoxate

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

Identification

Generic Name
Ingenol disoxate
DrugBank Accession Number
DB15109
Background

Ingenol disoxate is under investigation in clinical trial NCT02120456 (Safety and Efficacy of Escalating Doses of LEO 43204 Applied Once Daily for Two Consecutive Days on Approximately 250 cm2 on Trunk and Extremities in Subjects With Actinic Keratosis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 499.604
Monoisotopic: 499.257002535
Chemical Formula
C28H37NO7
Synonyms
  • Ingenol disoxate
External IDs
  • LEO 43204
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3B100VJ4ZW
CAS number
1383547-60-1
InChI Key
GLIUZQUNUNICGS-XUBYYPQFSA-N
InChI
InChI=1S/C28H37NO7/c1-7-18-20(19(8-2)36-29-18)25(33)35-24-13(3)11-27-14(4)9-17-21(26(17,5)6)16(23(27)32)10-15(12-30)22(31)28(24,27)34/h10-11,14,16-17,21-22,24,30-31,34H,7-9,12H2,1-6H3/t14-,16+,17-,21+,22-,24+,27+,28+/m1/s1
IUPAC Name
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl 3,5-diethyl-1,2-oxazole-4-carboxylate
SMILES
CCC1=C(C(=O)O[C@H]2C(C)=C[C@@]34[C@H](C)C[C@@H]5[C@H]([C@H](C=C(CO)[C@@H](O)[C@]23O)C4=O)C5(C)C)C(CC)=NO1

References

General References
Not Available
ChemSpider
52083803
ChEMBL
CHEMBL3989918

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentActinic Keratosis (AK)4
3TerminatedPreventionActinic Keratosis (AK) / Squamous Cell Carcinoma (SCC)1
2CompletedTreatmentAcne Vulgaris1
2CompletedTreatmentActinic Keratosis (AK)1
1CompletedOtherActinic Keratosis (AK)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 Solubility0.1 mg/mLALOGPS
logP2.81ALOGPS
logP2.71Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)12.13Chemaxon
pKa (Strongest Basic)0.46Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area130.09 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity134.18 m3·mol-1Chemaxon
Polarizability53.9 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0udi-0200590000-3466677a0be96fba0907
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0001900000-1d367c7315520b553e4f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0w30-1504930000-6a96438b0b5504753bd6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03k9-1300900000-4be10f04cb73279269e3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6x-9700500000-429bb29b53c43b26c2b1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4500900000-f0f1db9247e2ba3ae2ed
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:50 / Updated at February 21, 2021 18:55