Ingenol disoxate
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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
- Weight
- Average: 499.604
Monoisotopic: 499.257002535 - Chemical Formula
- C28H37NO7
- Synonyms
- Ingenol disoxate
- External IDs
- LEO 43204
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 52083803
- ChEMBL
- CHEMBL3989918
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Actinic Keratosis (AK) 4 3 Terminated Prevention Actinic Keratosis (AK) / Squamous Cell Carcinoma (SCC) 1 2 Completed Treatment Acne Vulgaris 1 2 Completed Treatment Actinic Keratosis (AK) 1 1 Completed Other Actinic 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
Property Value Source Water Solubility 0.1 mg/mL ALOGPS logP 2.81 ALOGPS logP 2.71 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 12.13 Chemaxon pKa (Strongest Basic) 0.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 130.09 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 134.18 m3·mol-1 Chemaxon Polarizability 53.9 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0200590000-3466677a0be96fba0907 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0001900000-1d367c7315520b553e4f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0w30-1504930000-6a96438b0b5504753bd6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03k9-1300900000-4be10f04cb73279269e3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0f6x-9700500000-429bb29b53c43b26c2b1 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-4500900000-f0f1db9247e2ba3ae2ed Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:50 / Updated at February 21, 2021 18:55