Oprozomib

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

Identification

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Name
Oprozomib
Accession Number
DB11991
Type
Small Molecule
Groups
Investigational
Description

Oprozomib has been used in trials studying the treatment of Solid Tumors, Multiple Myeloma, Waldenstrom Macroglobulinemia, Advanced Hepatocellular Carcinoma, and Advanced Non-Central Nervous System (CNS) Malignancies.

Structure
Thumb
Synonyms
Not Available
External IDs
ONX 0912 / ONX-0912
Categories
UNII
MZ37792Y8J
CAS number
935888-69-0
Weight
Average: 532.61
Monoisotopic: 532.19917056
Chemical Formula
C25H32N4O7S
InChI Key
SWZXEVABPLUDIO-WSZYKNRRSA-N
InChI
InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1
IUPAC Name
(2S)-3-methoxy-2-[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)formamido]propanamido]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]propanamide
SMILES
COC[C@H](NC(=O)[C@H](COC)NC(=O)C1=CN=C(C)S1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[C@@]1(C)CO1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
25067547
PubChem Substance
347828311
ChemSpider
28528375
BindingDB
50398607
ChEMBL
CHEMBL2103884
Wikipedia
Oprozomib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Non-Central Nervous System (CNS) Malignancies1
1CompletedTreatmentMultiple Myeloma (MM)1
1CompletedTreatmentTumors, Solid1
1, 2Active Not RecruitingTreatmentMultiple Myeloma (MM)1
1, 2CompletedTreatmentMultiple Myeloma (MM)2
1, 2CompletedTreatmentMultiple Myeloma (MM) / Waldenström's Macroglobulinemia (WM)1
1, 2WithdrawnTreatmentAdvanced Hepatocellular Carcinoma1

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 Solubility0.0121 mg/mLALOGPS
logP1.04ALOGPS
logP0.41ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)11.5ChemAxon
pKa (Strongest Basic)2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area148.25 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity134.34 m3·mol-1ChemAxon
Polarizability53.03 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Amphetamines and derivatives / Thiazolecarboxamides / 2-heteroaryl carboxamides / 2,5-disubstituted thiazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Ketones / Oxacyclic compounds
show 6 more
Substituents
Alpha-dipeptide / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Amphetamine or derivatives / Alpha-amino acid or derivatives / N-substituted-alpha-amino acid / 2-heteroaryl carboxamide / Thiazolecarboxylic acid or derivatives / Thiazolecarboxamide / 2,5-disubstituted 1,3-thiazole
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:08 / Updated on June 04, 2019 07:30