Delanzomib

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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Contraindications & Blackbox Warnings
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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
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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
PubChem Compound
24800541
PubChem Substance
347828281
ChemSpider
23325665
BindingDB
50329819
ChEBI
141530
ChEMBL
CHEMBL270515
ZINC
ZINC000169748228

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNon-Hodgkin's Lymphoma (NHL) / Solid Tumors1
1, 2CompletedTreatmentMultiple Myeloma (MM)1
1, 2TerminatedTreatmentMultiple 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
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/MSsplash10-03e9-0923700000-8a44f4975e1972bb2c0d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0019000000-6b263037a02c66452126
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9520000000-fc5454d66f2b438b6aaa
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udm-9405000000-082f8bd8869415f34f50
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fsi-2910000000-444653a195025864c993
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-630b9ea71ab4ce0797cf
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 20, 2016 21:04 / Updated at February 21, 2021 18:53