Molecule Details
InChIKeyGXJABQQUPOEUTA-RDJZCZTQSA-N
Compound NameBortezomib
Canonical SMILESCC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)47
Pfam Stratification Cross-Family
Avg pChEMBL7.85
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00188
Drug NameBortezomib
CAS Number179324-69-7
Groups approved investigational
ATC Codes L01XG01
DescriptionBortezomib is a dipeptide boronic acid derivative and proteasome inhibitor used to treat multiple myeloma and mantle cell lymphoma.[A204083] The 26S proteasome is a protein complex that degrades ubiquitinated proteins in the ubiquitin-proteasome pathway: reversible inhibition of the 26S proteasome, ...

Categories: Acids Acids, Noncarboxylic Antineoplastic Agents Antineoplastic and Immunomodulating Agents Boron Compounds Boronic Acids Cardiotoxic antineoplastic agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (moderate) Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Hepatotoxic Agents Hypotensive Agents Immunosuppressive Agents Myelosuppressive Agents Narrow Therapeutic Index Drugs OATP1B3 inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Potential QTc-Prolonging Agents Proteasome Inhibitors Pyrazines QTc Prolonging Agents
Cross-references: BindingDB: 50069989 ChEBI: 52717 CHEMBL325041 ChemSpider: 343402 Drugs Product Database (DPD): 13053 D03150 PDB: BO2 PharmGKB: PA10252 PubChem:387447 PubChem:46508736 RxCUI: 358258 Therapeutic Targets Database: DAP001318 Wikipedia: Bortezomib ZINC: ZINC000169746649
Target Activities (47)
Target Gene Organism Category Pfam pChEMBL Type Source
P28065 PSMB9 Homo sapiens Human PF00227 8.3 IC50 ChEMBL;BindingDB
P28062 PSMB8 Homo sapiens Human PF00227 8.3 IC50 ChEMBL;BindingDB
P28074 PSMB5 Homo sapiens Human PF00227 8.2 IC50 ChEMBL;BindingDB
A5LHX3 PSMB11 Homo sapiens Human PF00227 8.2 IC50 ChEMBL
O00231 PSMD11 Homo sapiens Human PF01399 PF18503 PF18055 8.2 IC50 ChEMBL
O00232 PSMD12 Homo sapiens Human PF01399 PF22241 PF18098 8.2 IC50 ChEMBL
O00487 PSMD14 Homo sapiens Human PF01398 PF23594 8.2 IC50 ChEMBL
O14818 PSMA7 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL
O43242 PSMD3 Homo sapiens Human PF01399 PF08375 PF25573 8.2 IC50 ChEMBL
P17980 PSMC3 Homo sapiens Human PF00004 PF17862 PF16450 8.2 IC50 ChEMBL
P25786 PSMA1 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL
P25787 PSMA2 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL
P25788 PSMA3 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL
P25789 PSMA4 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL
P28066 PSMA5 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL
P28070 PSMB4 Homo sapiens Human PF00227 8.2 IC50 ChEMBL
P28072 PSMB6 Homo sapiens Human PF00227 8.2 IC50 ChEMBL
P35998 PSMC2 Homo sapiens Human PF00004 PF17862 PF21236 8.2 IC50 ChEMBL
P43686 PSMC4 Homo sapiens Human PF00004 PF17862 PF16450 8.2 IC50 ChEMBL
P48556 PSMD8 Homo sapiens Human PF10075 8.2 IC50 ChEMBL
P49720 PSMB3 Homo sapiens Human PF00227 8.2 IC50 ChEMBL
P51665 PSMD7 Homo sapiens Human PF01398 PF13012 8.2 IC50 ChEMBL
P55036 PSMD4 Homo sapiens Human PF02809 PF13519 8.2 IC50 ChEMBL
P60896 SEM1 Homo sapiens Human PF05160 8.2 IC50 ChEMBL
P60900 PSMA6 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL;BindingDB
P62191 PSMC1 Homo sapiens Human PF00004 PF17862 PF16450 8.2 IC50 ChEMBL
P62195 PSMC5 Homo sapiens Human PF00004 PF17862 PF16450 8.2 IC50 ChEMBL
P62333 PSMC6 Homo sapiens Human PF00004 PF17862 PF16450 8.2 IC50 ChEMBL
Q13200 PSMD2 Homo sapiens Human PF01851 PF18051 PF17781 8.2 IC50 ChEMBL
Q15008 PSMD6 Homo sapiens Human PF01399 PF10602 PF21154 8.2 IC50 ChEMBL
Q16186 ADRM1 Homo sapiens Human PF04683 PF16550 8.2 IC50 ChEMBL
Q8TAA3 PSMA8 Homo sapiens Human PF00227 PF10584 8.2 IC50 ChEMBL
Q99436 PSMB7 Homo sapiens Human PF12465 PF00227 8.2 IC50 ChEMBL;BindingDB
Q99460 PSMD1 Homo sapiens Human PF13646 PF01851 PF18004 PF21505 8.2 IC50 ChEMBL
Q9UNM6 PSMD13 Homo sapiens Human PF01399 PF22037 8.2 IC50 ChEMBL
P40306 PSMB10 Homo sapiens Human PF12465 PF00227 8.0 IC50 ChEMBL;BindingDB
P19838 NFKB1 Homo sapiens Human PF12796 PF00531 PF16179 PF00554 7.5 IC50 ChEMBL
Q00653 NFKB2 Homo sapiens Human PF00023 PF12796 PF00531 PF16179 PF00554 7.5 IC50 ChEMBL
Q04206 RELA Homo sapiens Human PF16179 PF00554 7.5 IC50 ChEMBL
P20618 PSMB1 Homo sapiens Human PF00227 7.2 IC50 ChEMBL;BindingDB
Q9BY41 HDAC8 Homo sapiens Human PF00850 7.1 IC50 ChEMBL;BindingDB
P49721 PSMB2 Homo sapiens Human PF00227 6.9 IC50 ChEMBL;BindingDB
P36776 LONP1 Homo sapiens Human PF00004 PF05362 PF22667 PF02190 6.7 IC50 ChEMBL;BindingDB
P17538 CTRB1 Homo sapiens Human PF00089 6.5 Ki ChEMBL;BindingDB
P08311 CTSG Homo sapiens Human PF00089 6.2 IC50 ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 6.2 IC50 ChEMBL;BindingDB
Q92769 HDAC2 Homo sapiens Human PF00850 6.1 IC50 ChEMBL;BindingDB
DrugBank Target Actions (13)
Target Gene Target Name Action Type
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P07477 PRSS1 Serine protease 1 inhibitor targets
P20618 PSMB1 Proteasome subunit beta type-1 inhibitor targets
P28074 PSMB5 Proteasome subunit beta type-5 inhibitor targets
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters