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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325041
CHEMBL325041
Compound Name BORTEZOMIB
ChEMBL Synonyms Velcade | LDP-341 | BORTEZOMIB | PS-341
Max Phase 4 (Approved)
Trade Names VELCADE
Molecular Formula C19H25BN4O4

Additional synonyms for CHEMBL325041 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O
Standard InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-1 ...
Download InChI
Standard InChI Key GXJABQQUPOEUTA-RDJZCZTQSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL325041

Molecule Features

CHEMBL325041 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:Y Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Adenocarcinoma, Bronchiolo-AlveolarD002282EFO:0000308bronchoalveolar adenocarcinoma2ClinicalTrials
Adenocarcinoma, FollicularD018263EFO:0000501follicular thyroid carcinoma2ClinicalTrials
Carcinoma, Pancreatic DuctalD021441EFO:0002517pancreatic ductal adenocarcinoma2ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease2ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma2ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
Lymphoma, FollicularD008224EFO:0000096neoplasm of mature B-cells2ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma2ClinicalTrials
Thyroid NeoplasmsD013964EFO:0002892thyroid carcinoma2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma2ClinicalTrials
AmyloidosisD000686EFO:1001875amyloidosis3ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Esophageal NeoplasmsD004938EFO:0002916esophageal carcinoma2ClinicalTrials
Immune System DiseasesD007154EFO:0000540immune system disease2ClinicalTrials
Muscular DystrophiesD009136Orphanet:207073Qualitative or quantitative defects of dysferlin1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
AstrocytomaD001254EFO:0002499anaplastic astrocytoma1ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma2ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme1ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia2ClinicalTrials
Lymphoma, B-Cell, Marginal ZoneD018442EFO:0000191MALT lymphoma2ClinicalTrials
Lymphoma, T-Cell, PeripheralD016411EFO:0000211unspecified peripheral T-cell lymphoma2ClinicalTrials
Ovarian NeoplasmsD010051EFO:0001075ovarian carcinoma2ClinicalTrials
Stomach NeoplasmsD013274EFO:0000178gastric carcinoma2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
Carcinoma, Renal CellD002292EFO:0000681renal cell carcinoma2ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma1ClinicalTrials
GliosarcomaD018316EFO:1001465gliosarcoma2ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia3ClinicalTrials
Leukemia, Promyelocytic, AcuteD015473EFO:0000224acute promyelocytic leukemia2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
PlasmacytomaD010954EFO:0006738plasmacytoma3ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease3ClinicalTrials
Waldenstrom MacroglobulinemiaD008258EFO:0002616macroglobulinemia3ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma2ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL PositiveD015464EFO:0000339chronic myelogenous leukemia2ClinicalTrials
Leukemia, Plasma CellD007952EFO:0006475plasma cell leukemia2ClinicalTrials
MesotheliomaD008654EFO:0000588mesothelioma2ClinicalTrials
Nasopharyngeal NeoplasmsD009303EFO:0004252nasopharyngeal neoplasm2ClinicalTrials
Neuromyelitis OpticaD009471EFO:0004256neuromyelitis optica2ClinicalTrials
Thyroid NeoplasmsD013964EFO:0000641papillary thyroid carcinoma2ClinicalTrials
AmyloidosisD000686Orphanet:314701Primary systemic amyloidosis3ClinicalTrials
Bronchiolitis ObliteransD001989EFO:0007183bronchiolitis obliterans2ClinicalTrials
Carcinoma, Adenoid CysticD003528EFO:0000231adenoid cystic carcinoma2ClinicalTrials
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma2ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer2ClinicalTrials
Hematologic NeoplasmsD019337EFO:0001642lymphoid neoplasm1ClinicalTrials
LeukemiaD007938EFO:0000565leukemia2ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma3ClinicalTrials
Lymphoma, Mantle-CellD020522EFO:1001469Mantle cell lymphoma4ClinicalTrials
DailyMed
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome2ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia2ClinicalTrials
Purpura, Thrombocytopenic, IdiopathicD016553EFO:0007160autoimmune thrombocytopenic purpura3ClinicalTrials
Urethral NeoplasmsD014523EFO:0003846urethral neoplasm2ClinicalTrials
Uterine Cervical NeoplasmsD002583EFO:0001061cervical carcinoma2ClinicalTrials
Anemia, Refractory, with Excess of BlastsD000754EFO:0003811refractory anemia with excess blasts1ClinicalTrials
Leukemia, Biphenotypic, AcuteD015456EFO:0000094B-cell acute lymphoblastic leukemia2ClinicalTrials
Leukemia, Biphenotypic, AcuteD015456EFO:0000209T-cell acute lymphoblastic leukemia2ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma3ClinicalTrials
Lymphoproliferative DisordersD0082322ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma2ClinicalTrials
SarcomaD012509EFO:0000691sarcoma2ClinicalTrials
Smoldering Multiple MyelomaD000075122EFO:0003073asymptomatic myeloma1ClinicalTrials
Amyloidosis, FamilialD028226Orphanet:85443AL amyloidosis3ClinicalTrials
CholangiocarcinomaD018281EFO:1001961intrahepatic cholangiocarcinoma3ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia2ClinicalTrials
LymphomaD008223EFO:0000574lymphoma3ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma4ClinicalTrials
OligodendrogliomaD009837EFO:0002501anaplastic oligodendroglioma1ClinicalTrials
Sarcoma, MyeloidD023981EFO:1001052myeloid sarcoma3ClinicalTrials
Ureteral NeoplasmsD014516EFO:0003844ureteral neoplasm2ClinicalTrials

Clinical Data

ClinicalTrials.gov BORTEZOMIB
The Cochrane Collaboration BORTEZOMIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
384.3 384.1969 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL325041

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XX - Other antineoplastic agents
L01XX32 - bortezomib

ChemSpider ChemSpider:GXJABQQUPOEUTA-RDJZCZTQSA-N
DailyMed bortezomib
PubChem SID: 124950705 SID: 144206183 SID: 144206225 SID: 170465087 SID: 518755
Wikipedia Bortezomib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325041



ACToR 179324-69-7
BindingDB 50069989
Brenda 16402 4725 42093
ChEBI 52717
DrugBank DB00188
DrugCentral 391
eMolecules 29934400
EPA CompTox Dashboard DTXSID3040980
FDA SRS 69G8BD63PP
Guide to Pharmacology 6391
Human Metabolome Database HMDB0014334
IBM Patent System F88ABA8DA666145F47E78FD37BC727CE
LINCS LSM-6281
MolPort MolPort-003-845-298
Nikkaji J1.921.292K
PDBe BO2
PubChem 387447
PubChem: Drugs of the Future 12015194
PubChem: Thomson Pharma 14853748
Selleck Bortezomib
SureChEMBL SCHEMBL192129
ZINC ZINC000169746649

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