Motolimod
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Motolimod
- DrugBank Accession Number
- DB12303
- Background
Motolimod has been used in trials studying the treatment of Lymphoma, Tongue Cancer, Ovarian Cancer, Adult Solid Neoplasm, and Fallopian Tube Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 458.606
Monoisotopic: 458.268176351 - Chemical Formula
- C28H34N4O2
- Synonyms
- {2-amino-8-[4-(pyrrolidinylcarbonyl)phenyl](3H-benzo[f]azepin-4-yl)}-N,N-dipropycarboxamide
- Motolimod
- External IDs
- VTX-2337
- VTX-378
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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 benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzazepines
- Sub Class
- Not Available
- Direct Parent
- Benzazepines
- Alternative Parents
- Benzamides / N-acylpyrrolidines / Benzoyl derivatives / Azepines / Imidolactams / Tertiary carboxylic acid amides / Propargyl-type 1,3-dipolar organic compounds / Carboxamidines / Azacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- Amidine / Aromatic heteropolycyclic compound / Azacycle / Azepine / Benzamide / Benzazepine / Benzenoid / Benzoic acid or derivatives / Benzoyl / Carbonyl group show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- WP6PY72ZH3
- CAS number
- 926927-61-9
- InChI Key
- QSPOQCXMGPDIHI-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)
- IUPAC Name
- 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
- SMILES
- CCCN(CCC)C(=O)C1=CC2=CC=C(C=C2N=C(N)C1)C1=CC=C(C=C1)C(=O)N1CCCC1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0254904
- PubChem Compound
- 16049404
- PubChem Substance
- 347828569
- ChemSpider
- 13177800
- ChEMBL
- CHEMBL3301618
- ZINC
- ZINC000034946588
- Wikipedia
- Array_BioPharma
Clinical Trials
- Clinical Trials
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 0.00485 mg/mL ALOGPS logP 4.67 ALOGPS logP 3.74 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 7.93 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 79 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 140.03 m3·mol-1 Chemaxon Polarizability 54.06 Å3 Chemaxon Number of Rings 4 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 splash10-0a4r-0007900000-fc88395d2d4fd351547b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0000900000-4ece8260fc269c9f1235 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9008400000-300de97e402d961140c2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a6r-0002900000-b0fbe6deedb746c7b46c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-3009500000-5961d56e52116af76ff9 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0049700000-357f2fb069a9c1e982bf Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 247.6494628 predictedDarkChem Lite v0.1.0 [M-H]- 217.33821 predictedDeepCCS 1.0 (2019) [M+H]+ 247.9749628 predictedDarkChem Lite v0.1.0 [M+H]+ 219.73378 predictedDeepCCS 1.0 (2019) [M+Na]+ 247.7062628 predictedDarkChem Lite v0.1.0 [M+Na]+ 225.6463 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:52 / Updated at March 18, 2024 19:36