Delanzomib
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Delanzomib
- DrugBank Accession Number
- DB11956
- Background
Delanzomib has been used in trials studying the treatment of Solid Tumors, Multiple Myeloma, and Lymphoma, Non-Hodgkin.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 413.28
Monoisotopic: 413.212201 - Chemical Formula
- C21H28BN3O5
- Synonyms
- Delanzomib
- External IDs
- CEP 18770
- CEP-18770
- CIP 18770
- CIP-18770
- CT 47098
- CT-47098
- NPH 007098
- NPH-007098
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 n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- N-acyl-alpha amino acids and derivatives
- Alternative Parents
- Phenylpyridines / Alpha amino acid amides / Pyridinecarboxylic acids and derivatives / 2-heteroaryl carboxamides / N-acyl amines / Benzene and substituted derivatives / Heteroaromatic compounds / Secondary carboxylic acid amides / Secondary alcohols / Boronic acids show 7 more
- Substituents
- 2-heteroaryl carboxamide / 2-phenylpyridine / Alcohol / Alkylborane / Alpha-amino acid amide / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Boronic acid / Boronic acid derivative show 22 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6IF28942WO
- CAS number
- 847499-27-8
- InChI Key
- SJFBTAPEPRWNKH-CCKFTAQKSA-N
- InChI
- InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
- IUPAC Name
- [(1R)-1-[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)formamido]butanamido]-3-methylbutyl]boronic acid
- SMILES
- CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C1=CC=CC(=N1)C1=CC=CC=C1)[C@@H](C)O)B(O)O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 24800541
- PubChem Substance
- 347828281
- ChemSpider
- 23325665
- BindingDB
- 50329819
- ChEBI
- 141530
- ChEMBL
- CHEMBL270515
- ZINC
- ZINC000169748228
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Non-Hodgkin's Lymphoma (NHL) / Solid Tumors 1 1, 2 Completed Treatment Multiple Myeloma (MM) 1 1, 2 Terminated Treatment Multiple Myeloma (MM) 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 0.0587 mg/mL ALOGPS logP 1.75 ALOGPS logP 2.57 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 8.64 Chemaxon pKa (Strongest Basic) 0.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 131.78 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 107.64 m3·mol-1 Chemaxon Polarizability 44.31 Å3 Chemaxon Number of Rings 2 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 20, 2016 21:04 / Updated at February 21, 2021 18:53