DELANZOMIB

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Synonyms
Status
Molecule Category Free-form
UNII 6IF28942WO
EPA CompTox DTXSID901025656

Structure

InChI Key SJFBTAPEPRWNKH-CCKFTAQKSA-N
Smiles CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28BN3O5
Molecular Weight 413.28

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- - - - -3-1
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- - - - -8-27
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C2 family
- - - - 0
Enzyme Protease Cysteine protease Cysteine protease CD clan Cysteine protease C14 family
- - - - -2-2
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily
- - - - 1
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M13 family
- - - - 12-21
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - - -5-4
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily
- - - - 1
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
13.5 13.7 - - -2-86
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 3-31 - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1B subfamily
- 1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - -
Homo sapiens
13.5-13.5 1-70 - - -5-86
Human immunodeficiency virus 1
- - - - 1
Oryctolagus cuniculus
- 10-59 - - -
Sus scrofa
- - - - -6--5

Cross References

Resources Reference
CAS NUMBER 847499-27-8
ChEBI 141530
ChEMBL CHEMBL270515
DrugBank DB11956
FDA SRS 6IF28942WO
PubChem 24800541
SureChEMBL SCHEMBL555047
ZINC ZINC000169748228
CONTENTS