Litronesib
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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
- Litronesib
- DrugBank Accession Number
- DB11861
- Background
Litronesib has been used in trials studying the treatment of Solid Tumors, Ovarian Cancer, Gastric Cancer, Prostate Cancer, and Acute Leukaemia, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 511.7
Monoisotopic: 511.228697039 - Chemical Formula
- C23H37N5O4S2
- Synonyms
- Litronesib
- External IDs
- KF 89617
- KF-89617
- KF89617
- LY 2523355
- LY-2523355
- LY2523355
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Not Available
- Direct Parent
- Benzene and substituted derivatives
- Alternative Parents
- Organosulfonamides / Organic sulfonamides / Thiadiazolines / Aminosulfonyl compounds / Amino acids and derivatives / Dialkylamines / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Amine / Amino acid or derivatives / Aminosulfonyl compound / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxylic acid derivative / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6611F8KYCV
- CAS number
- 910634-41-2
- InChI Key
- YVAFBXLHPINSIK-QHCPKHFHSA-N
- InChI
- InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1
- IUPAC Name
- N-[(5R)-4-(2,2-dimethylpropanoyl)-5-{[2-(ethylamino)ethanesulfonamido]methyl}-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
- SMILES
- CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25167017
- PubChem Substance
- 347828200
- ChemSpider
- 28528996
- ChEMBL
- CHEMBL2105661
- ZINC
- ZINC000056898863
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Colorectal Cancer / Esophageal Cancer / Gastric Cancer / Head And Neck Cancer / Non-Small Cell Lung Cancer (NSCLC) / Ovarian Cancer / Prostate Cancer 1 2 Completed Treatment Metastatic Breast Cancer 1 2 Completed Treatment Small Cell Lung Cancer (SCLC) 1 1 Completed Treatment Advanced Malignant Neoplasm 1 1 Completed Treatment Advanced Malignant Neoplasm / Metastatic Cancer 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 0.0162 mg/mL ALOGPS logP 2.99 ALOGPS logP 3.44 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 8.35 Chemaxon pKa (Strongest Basic) 9.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 119.97 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 135.4 m3·mol-1 Chemaxon Polarizability 55.36 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 210.56007 predictedDeepCCS 1.0 (2019) [M+H]+ 212.95566 predictedDeepCCS 1.0 (2019) [M+Na]+ 218.86818 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:54 / Updated at February 21, 2021 18:53