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
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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