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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2103884
CHEMBL2103884
Compound Name OPROZOMIB
ChEMBL Synonyms ONX 0912 | OPROZOMIB
Max Phase 1
Trade Names
Molecular Formula C25H32N4O7S

Additional synonyms for CHEMBL2103884 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc2cc ...
Download SMILES
Standard InChI InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35- ...
Download InChI
Standard InChI Key SWZXEVABPLUDIO-WSZYKNRRSA-N

Sources

  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2103884

Molecule Features

CHEMBL2103884 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
26S proteosome inhibitor 26S proteosome PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Waldenstrom MacroglobulinemiaD008258EFO:0002616macroglobulinemia1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
NeoplasmsD009369EFO:0000311cancer1ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma1ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma1ClinicalTrials

Clinical Data

ClinicalTrials.gov OPROZOMIB
The Cochrane Collaboration OPROZOMIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2103884. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3563 Cruzipain Trypanosoma cruzi 0.830
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.542
CHEMBL1944 Neprilysin Homo sapiens 0.396

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5620 Proteasome subunit beta type-8 Homo sapiens 1.000
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.788

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
532.6 532.1992 0.41 14 148.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.29 1.62 1.5 1.5 2 37 0.3

Structural Alerts

There are 11 structural alerts for CHEMBL2103884. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SWZXEVABPLUDIO-WSZYKNRRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2103884



BindingDB 50398607
Brenda 163455
DrugBank DB11991
FDA SRS MZ37792Y8J
Guide to Pharmacology 8739
IBM Patent System 3E85D00CF479FF2B59C55723FDF23715
MolPort MolPort-028-720-441
Nikkaji J2.980.600D
PubChem 25067547
PubChem: Drugs of the Future 136350027
PubChem: Thomson Pharma 56405637
SureChEMBL SCHEMBL1709971
ZINC ZINC000043202141

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SWZXEVABPLUDIO-WSZYKNRRSA-N spacer
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