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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyMotolimod
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Motolimod
- Accession Number
- DB12303
- Type
- Small Molecule
- Groups
- Investigational
- Description
Motolimod has been used in trials studying the treatment of Lymphoma, Tongue Cancer, Ovarian Cancer, Adult Solid Neoplasm, and Fallopian Tube Cancer, among others.
- Structure
- Synonyms
- Not Available
- External IDs
- VTX-2337 / VTX-378
- Categories
- UNII
- WP6PY72ZH3
- CAS number
- 926927-61-9
- Weight
- Average: 458.606
Monoisotopic: 458.268176351 - Chemical Formula
- C28H34N4O2
- 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
Pharmacology
- Indication
- 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
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16049404
- PubChem Substance
- 347828569
- ChemSpider
- 13177800
- ChEMBL
- CHEMBL3301618
- 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 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 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
- Benzazepine / Benzamide / Benzoic acid or derivatives / Benzoyl / N-acylpyrrolidine / Azepine / Monocyclic benzene moiety / Imidolactam / Benzenoid / Tertiary carboxylic acid amide show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Drug created on October 20, 2016 15:52 / Updated on December 02, 2019 09:22