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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyExatecan
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Exatecan
- Accession Number
- DB12185
- Type
- Small Molecule
- Groups
- Investigational
- Description
Exatecan has been used in trials studying the treatment of Sarcoma, Leukemia, Lymphoma, Lung Cancer, and Liver Cancer, among others.
- Structure
Structure for DB12185 (Exatecan)
- Synonyms
- Not Available
- External IDs
- DX-8951 / DX-8951f
- Product Ingredients
Ingredient UNII CAS InChI Key Exatecan Mesylate D2VJ1CC26Q 197720-53-9 FXQZOHBMBQTBMJ-MWPGLPCQSA-N - Categories
- UNII
- OC71PP0F89
- CAS number
- 171335-80-1
- Weight
- Average: 435.455
Monoisotopic: 435.159434363 - Chemical Formula
- C24H22FN3O4
- InChI Key
- ZVYVPGLRVWUPMP-FYSMJZIKSA-N
- InChI
- InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
- IUPAC Name
- (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaene-5,9-dione
- SMILES
- CC[[email protected]@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(F)C(C)=C4CC[[email protected]](N)C3=C14)C2=O
Pharmacology
- Indication
- Not Available
- Structured Indications
- Not Available
- 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
- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction Drug group Acetyldigitoxin Acetyldigitoxin may decrease the cardiotoxic activities of Exatecan. Approved Acetyldigoxin Acetyldigoxin may decrease the cardiotoxic activities of Exatecan. Experimental Ancestim The risk or severity of cytotoxicity can be increased when Ancestim is combined with Exatecan. Approved, Investigational, Withdrawn Bevacizumab Bevacizumab may increase the cardiotoxic activities of Exatecan. Approved, Investigational Cabazitaxel The risk or severity of adverse effects can be increased when Cabazitaxel is combined with Exatecan. Approved Cyclophosphamide Cyclophosphamide may increase the cardiotoxic activities of Exatecan. Approved, Investigational Cymarin Cymarin may decrease the cardiotoxic activities of Exatecan. Experimental Deslanoside Deslanoside may decrease the cardiotoxic activities of Exatecan. Approved Digitoxin Digitoxin may decrease the cardiotoxic activities of Exatecan. Approved, Investigational Digoxin Digoxin may decrease the cardiotoxic activities of Exatecan. Approved Digoxin Immune Fab (Ovine) Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Exatecan. Approved Docetaxel The risk or severity of adverse effects can be increased when Docetaxel is combined with Exatecan. Approved, Investigational Gitoformate Gitoformate may decrease the cardiotoxic activities of Exatecan. Experimental Lanatoside C Lanatoside C may decrease the cardiotoxic activities of Exatecan. Experimental Metildigoxin Metildigoxin may decrease the cardiotoxic activities of Exatecan. Experimental Oleandrin Oleandrin may decrease the cardiotoxic activities of Exatecan. Experimental, Investigational Ouabain Ouabain may decrease the cardiotoxic activities of Exatecan. Approved Paclitaxel The risk or severity of adverse effects can be increased when Paclitaxel is combined with Exatecan. Approved, Vet Approved Peruvoside Peruvoside may decrease the cardiotoxic activities of Exatecan. Experimental Proscillaridin Proscillaridin may decrease the cardiotoxic activities of Exatecan. Experimental Trastuzumab Trastuzumab may increase the cardiotoxic activities of Exatecan. Approved, Investigational - Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Brain and Central Nervous System Tumors / Malignant Lymphomas / Unspecified Childhood Solid Tumor, Protocol Specific 1 1 Completed Treatment Leukemias / Myelodysplastic Syndromes 1 1 Completed Treatment Unspecified Adult Solid Tumor, Protocol Specific 1 2 Completed Treatment Cancer of the Ovary / Fallopian Tube Cancer / Primary Peritoneal Cavity Cancer 1 2 Completed Treatment Cancer, Breast 1 2 Completed Treatment Cervical Cancers 1 2 Completed Treatment Esophageal Cancers / Malignant Neoplasm of Stomach 1 2 Completed Treatment Extrahepatic Bile Duct Cancer / Gallbladder Cancer / Liver Cancer 1 2 Completed Treatment Liver Cancer 1 2 Completed Treatment Lung Cancers 1 2 Completed Treatment Malignant Neoplasm of Pancreas 1 2 Completed Treatment Prostate Cancer 1 2 Completed Treatment Sarcomas 3 3 Completed Treatment Malignant Neoplasm of Pancreas 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 0.221 mg/mL ALOGPS logP 1.67 ALOGPS logP 1.55 ChemAxon logS -3.3 ALOGPS pKa (Strongest Acidic) 11.71 ChemAxon pKa (Strongest Basic) 9.52 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 105.75 Å2 ChemAxon Rotatable Bond Count 1 ChemAxon Refractivity 115.8 m3·mol-1 ChemAxon Polarizability 45.45 Å3 ChemAxon Number of Rings 6 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
- Kingdom
- Organic compounds
- Super Class
- Alkaloids and derivatives
- Class
- Camptothecins
- Sub Class
- Not Available
- Direct Parent
- Camptothecins
- Alternative Parents
- Haloquinolines / Pyranopyridines / Pyridinones / Aralkylamines / Aryl fluorides / Benzenoids / Tertiary alcohols / Heteroaromatic compounds / Amino acids and derivatives / Lactones show 11 more
- Substituents
- Camptothecin / Haloquinoline / Pyranopyridine / Quinoline / Aralkylamine / Pyridinone / Aryl fluoride / Aryl halide / Benzenoid / Pyridine show 26 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Drug created on October 20, 2016 15:33 / Updated on March 02, 2018 05:30