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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL371405
CHEMBL371405
Compound Name MARIZOMIB
ChEMBL Synonyms MARIZOMIB | NPI-0052
Max Phase 1
Trade Names
Molecular Formula C15H20ClNO4

Additional synonyms for CHEMBL371405 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]3CCCC=C ...
Download SMILES
Standard InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21 ...
Download InChI
Standard InChI Key NGWSFRIPKNWYAO-SHTIJGAHSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL371405

Molecule Features

CHEMBL371405 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y 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
20S Proteasome inhibitor 20S proteosome PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LYMPHOMAD008223EFO:0000574LYMPHOMA1ClinicalTrials
MULTIPLE MYELOMAD009101EFO:0001378MULTIPLE MYELOMA1ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER1ClinicalTrials

Clinical Data

ClinicalTrials.gov MARIZOMIB
The Cochrane Collaboration MARIZOMIB

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 CHEMBL371405. 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
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 1.000
CHEMBL2878 Histone deacetylase 6 Mus musculus 0.997
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.803
CHEMBL4421 HM74 nicotinic acid GPCR Homo sapiens 0.532

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 1.000
CHEMBL2878 Histone deacetylase 6 Mus musculus 0.998
CHEMBL1293229 Nuclear receptor subfamily 4 group A member 1 Homo sapiens 0.358
CHEMBL4421 HM74 nicotinic acid GPCR Homo sapiens 0.313
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.302

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
313.8 313.1081 1.3 4 75.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.1 - 2.28 2.28 0 21 0.47

Structural Alerts

There are 14 structural alerts for CHEMBL371405. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NGWSFRIPKNWYAO-SHTIJGAHSA-N
Wikipedia Salinosporamide_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL371405



BindingDB 50398608
ChEBI 48045
DrugBank DB11762
FDA SRS 703P9YDP7F
IBM Patent System 57649E69232BF83FDAD8CCED959E238D
Metabolights MTBLC48045
Nikkaji J1.875.185B
PubChem 11347535
PubChem: Thomson Pharma 16939662 16439067
Selleck salinosporamide-a-npi-0052-marizomib
SureChEMBL SCHEMBL151667
ZINC ZINC000003990364

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