Delanzomib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Delanzomib
Accession Number
DB11956
Type
Small Molecule
Groups
Investigational
Description

Delanzomib has been used in trials studying the treatment of Solid Tumors, Multiple Myeloma, and Lymphoma, Non-Hodgkin.

Structure
Thumb
Synonyms
  • delanzomib
External IDs
CEP 18770 / CEP-18770 / CIP 18770 / CIP-18770 / CT 47098 / CT-47098 / NPH 007098 / NPH-007098
Categories
UNII
6IF28942WO
CAS number
847499-27-8
Weight
Average: 413.28
Monoisotopic: 413.212201
Chemical Formula
C21H28BN3O5
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

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
DrugInteraction
PitavastatinThe serum concentration of Pitavastatin can be decreased when it is combined with Delanzomib.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
24800541
PubChem Substance
347828281
ChemSpider
23325665
BindingDB
50329819
ChEBI
141530
ChEMBL
CHEMBL270515

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNon-Hodgkin's Lymphoma (NHL) / Tumors, Solid1
1, 2TerminatedTreatmentMultiple Myeloma (MM)2

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
PropertyValueSource
Water Solubility0.0587 mg/mLALOGPS
logP1.75ALOGPS
logP2.57ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)8.64ChemAxon
pKa (Strongest Basic)0.46ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area131.78 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity107.64 m3·mol-1ChemAxon
Polarizability44.31 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / 2-phenylpyridine / Pyridine carboxylic acid or derivatives / 2-heteroaryl carboxamide / Monocyclic benzene moiety / Fatty amide / N-acyl-amine / Pyridine / Benzenoid
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:04 / Updated on November 02, 2018 07:17