BORTEZOMIB


Trade Names	BORTEZOMIB VELCADE
Synonyms	Bortezomib Bortezomib accord Bortezomib hydrate LDP-341 NSC-681239 PS-341 Velcade
Status
Molecule Category	Free-form
ATC	L01XG01
UNII	69G8BD63PP
EPA CompTox	DTXSID3040980

Structure


InChI Key	GXJABQQUPOEUTA-RDJZCZTQSA-N
Smiles	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
InChI	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H25BN4O4
Molecular Weight	384.25

Pharmacology

Mechanism of Action	Action	Reference
26S proteosome inhibitor	INHIBITOR	PubMed DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	183	-	-	-
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	-	-	-	-	5-50
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	-	-	-	-	-4-2.8
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily	-	-	-	-
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M13 family	-	-	-	-	9-26
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily	-	-	-	-	-7-6
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily	-	-	-	-	2
Enzyme Protease Metallo protease Metallo protease MP clan Metallo protease M67 family Metallo protease M67A subfamily	-	2.56-120	-	-	-
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily	-	520	-	320-630	-30.5-96
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily	-	-	-	-	1-21.2
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily	-	0.5-940	-	0.55-9.8	33.28-100
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1B subfamily	-	2.56-120	-	-	-
Enzyme	-	0.5-940	-	0.55-9.8	-30.5-96
Epigenetic regulator Eraser Histone deacetylase HDAC class I	-	72-800	-	-	-
Epigenetic regulator Writer Protein methyltransferase SET domain	-	-	-	-	18-24
Other cytosolic protein	-	2.56-120	-	-	-
Transcription factor	-	9.7-85	-	-	-
Unclassified protein	-	2.56-120	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	500	-	-	5
Candida albicans	-	-	-	-
Homo sapiens	0.7-21	0.2-940	-	0.55-630	-30.5-100
Human immunodeficiency virus 1	-	-	-	-
Mus musculus	-	0.161-30	-	-	44.8
Mycobacterium tuberculosis	-	24.9	-	-	-
Oryctolagus cuniculus	-	5-480	-	0.6026-24	87
Plasmodium falciparum	106-419	53-320	-	-	-
Sus scrofa	-	-	-	-	-1-8

Target Conservation


Protein: 26S proteasome Description: Proteasome subunit beta type-11 Organism : Homo sapiens A5LHX3 ENSG00000222028









Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 11 Organism : Homo sapiens O00231 ENSG00000108671












Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 12 Organism : Homo sapiens O00232 ENSG00000197170














Protein: 26S proteasome Description: Proteasome subunit alpha type-7 Organism : Homo sapiens O14818 ENSG00000101182











Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 3 Organism : Homo sapiens O43242 ENSG00000108344









Protein: 26S proteasome Description: 26S proteasome regulatory subunit 6A Organism : Homo sapiens P17980 ENSG00000165916














Protein: 26S proteasome Description: Proteasome subunit beta type-1 Organism : Homo sapiens P20618 ENSG00000008018














Protein: 26S proteasome Description: Proteasome subunit alpha type-1 Organism : Homo sapiens P25786 ENSG00000129084














Protein: 26S proteasome Description: Proteasome subunit alpha type-2 Organism : Homo sapiens P25787 ENSG00000106588














Protein: 26S proteasome Description: Proteasome subunit alpha type-3 Organism : Homo sapiens P25788 ENSG00000100567














Protein: 26S proteasome Description: Proteasome subunit alpha type-4 Organism : Homo sapiens P25789 ENSG00000041357














Protein: 26S proteasome Description: Proteasome subunit beta type-8 Organism : Homo sapiens P28062 ENSG00000204264










Protein: 26S proteasome Description: Proteasome subunit beta type-9 Organism : Homo sapiens P28065 ENSG00000240065










Protein: 26S proteasome Description: Proteasome subunit alpha type-5 Organism : Homo sapiens P28066 ENSG00000143106














Protein: 26S proteasome Description: Proteasome subunit beta type-4 Organism : Homo sapiens P28070 ENSG00000159377














Protein: 26S proteasome Description: Proteasome subunit beta type-6 Organism : Homo sapiens P28072 ENSG00000142507











Protein: 26S proteasome Description: Proteasome subunit beta type-5 Organism : Homo sapiens P28074 ENSG00000100804











Protein: 26S proteasome Description: 26S proteasome regulatory subunit 7 Organism : Homo sapiens P35998 ENSG00000161057














Protein: 26S proteasome Description: Proteasome subunit beta type-10 Organism : Homo sapiens P40306 ENSG00000205220









Protein: 26S proteasome Description: 26S proteasome regulatory subunit 6B Organism : Homo sapiens P43686 ENSG00000013275














Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 8 Organism : Homo sapiens P48556 ENSG00000099341














Protein: 26S proteasome Description: Proteasome subunit beta type-3 Organism : Homo sapiens P49720 ENSG00000277791














Protein: 26S proteasome Description: Proteasome subunit beta type-2 Organism : Homo sapiens P49721 ENSG00000126067














Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 7 Organism : Homo sapiens P51665 ENSG00000103035














Protein: 26S proteasome Description: 26S proteasome complex subunit SEM1 Organism : Homo sapiens P60896 ENSG00000127922












Protein: 26S proteasome Description: Proteasome subunit alpha type-6 Organism : Homo sapiens P60900 ENSG00000100902














Protein: 26S proteasome Description: 26S proteasome regulatory subunit 4 Organism : Homo sapiens P62191 ENSG00000100764














Protein: 26S proteasome Description: 26S proteasome regulatory subunit 8 Organism : Homo sapiens P62195 ENSG00000087191














Protein: 26S proteasome Description: 26S proteasome regulatory subunit 10B Organism : Homo sapiens P62333 ENSG00000100519














Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 2 Organism : Homo sapiens Q13200 ENSG00000175166














Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 6 Organism : Homo sapiens Q15008 ENSG00000163636














Protein: 26S proteasome Description: Proteasomal ubiquitin receptor ADRM1 Organism : Homo sapiens Q16186 ENSG00000130706














Protein: 26S proteasome Description: Proteasome subunit alpha-type 8 Organism : Homo sapiens Q8TAA3 ENSG00000154611









Protein: 26S proteasome Description: Proteasome subunit beta type-7 Organism : Homo sapiens Q99436 ENSG00000136930












Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 1 Organism : Homo sapiens Q99460 ENSG00000173692














Protein: 26S proteasome Description: 26S proteasome non-ATPase regulatory subunit 13 Organism : Homo sapiens Q9UNM6 ENSG00000185627

Cross References

Resources	Reference
CAS NUMBER	179324-69-7
ChEBI	52717
ChEMBL	CHEMBL325041
DrugBank	DB00188
DrugCentral	391
FDA SRS	69G8BD63PP
Human Metabolome Database	HMDB0014334
Guide to Pharmacology	6391
KEGG	D03150
PDB	BO2
PubChem	387447
SureChEMBL	SCHEMBL192129
ZINC	ZINC000169746649

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