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Compound Detail

CHEMBL325041

BORTEZOMIB
🧪 Phase III
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🧪 Phase III
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325041
Name BORTEZOMIB
Phase Phase III
Structure Type MOL
InChI Key GXJABQQUPOEUTA-RDJZCZTQSA-N

Known Names

Bortezomib Bortezomib hydrate LDP-341 NSC-681239 PS-341
434
Targets
698
Activities
3
Assay Types
30
PK Parameters
20
Publications
5
Known Names

Molecular Properties

384.2
MW (Da)

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product First in Class
USAN Stem -zomib
USAN Year 2002

Extended Properties

Molecular Formula C19H25BN4O4
MW 384.25

ATC Classification

L01XG01
bortezomib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 638 meas. best 9.79
Ki 43 meas. best 9.26
EC50 17 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SK-UT-1
CHEMBL2366316
 IC50 9.79 9.79 0.2 1
Unchecked
CHEMBL612545
 IC50 9.79 7.8518 0.2 61
SH-4
CHEMBL2366309
 IC50 9.76 9.76 0.2 1
TE-9
CHEMBL2366147
 IC50 9.74 9.74 0.2 1
no-10
CHEMBL2366071
 IC50 9.68 9.68 0.2 1
A253 cell line
CHEMBL614255
 IC50 9.68 9.68 0.2 1
MMAC-SF
CHEMBL2366196
 IC50 9.66 9.66 0.2 1
A101D
CHEMBL2366306
 IC50 9.65 9.65 0.2 1
NTERA-2-cl-D1
CHEMBL614206
 IC50 9.61 9.61 0.2 1
8-MG-BA
CHEMBL2366115
 IC50 9.6 9.6 0.2 1
KNS-42
CHEMBL2366261
 IC50 9.59 9.59 0.3 1
LXF-289 cell line
CHEMBL614107
 IC50 9.57 9.57 0.3 1
OVCAR-4
CHEMBL614051
 IC50 9.54 9.54 0.3 1
LOUCY
CHEMBL2366252
 IC50 9.53 9.53 0.3 1
BB65-RCC
CHEMBL2366247
 IC50 9.52 9.52 0.3 1
ONS-76
CHEMBL2366068
 IC50 9.48 9.48 0.3 1
D-542MG
CHEMBL2366208
 IC50 9.48 9.48 0.3 1
KS-1
CHEMBL2366228
 IC50 9.47 9.47 0.3 1
BB30-HNC
CHEMBL2366271
 IC50 9.47 9.47 0.3 1
A388
CHEMBL2366355
 IC50 9.45 9.45 0.4 1
ES8
CHEMBL2366069
 IC50 9.4 9.4 0.4 1
MZ2-MEL
CHEMBL2366226
 IC50 9.39 9.39 0.4 1
ACN
CHEMBL2366195
 IC50 9.38 9.38 0.4 1
D-247MG
CHEMBL2366237
 IC50 9.38 9.38 0.4 1
HCC 2998
CHEMBL613855
 IC50 9.38 9.38 0.4 1
ES1
CHEMBL2366146
 IC50 9.37 9.37 0.4 1
LB2518-MEL
CHEMBL2366335
 IC50 9.37 9.37 0.4 1
HCE-T
CHEMBL2366139
 IC50 9.36 9.36 0.4 1
OS-RC-2
CHEMBL2366188
 IC50 9.36 9.36 0.4 1
OCUB-M
CHEMBL2366121
 IC50 9.35 9.35 0.4 1
MFH-ino
CHEMBL2366262
 IC50 9.35 9.35 0.4 1
DSH1
CHEMBL2366079
 IC50 9.32 9.32 0.5 1
LB771-HNC
CHEMBL2366099
 IC50 9.32 9.32 0.5 1
CP66-MEL
CHEMBL2366363
 IC50 9.32 9.32 0.5 1
Proteasome Macropain subunit MB1
CHEMBL4662
 IC50 9.3 8.209 0.5 29
NCI-H747
CHEMBL2366087
 IC50 9.27 9.27 0.5 1
CESS
CHEMBL2366361
 IC50 9.27 9.27 0.5 1
HuTu80
CHEMBL614582
 IC50 9.27 9.27 0.5 1
Proteasome Macropain subunit MB1
CHEMBL4662
 Ki 9.26 8.594 0.6 5
Unchecked
CHEMBL612545
 Ki 9.26 6.6336 0.6 14
HT-144
CHEMBL2366291
 IC50 9.24 9.24 0.6 1
COLO-829
CHEMBL2366275
 IC50 9.21 9.21 0.6 1
A4-Fuk
CHEMBL2366356
 IC50 9.21 9.21 0.6 1
Proteasome
CHEMBL612443
 Ki 9.21 9.21 0.6 2
GI-ME-N
CHEMBL2366074
 IC50 9.2 9.2 0.6 1
LB831-BLC
CHEMBL2366222
 IC50 9.19 9.19 0.6 1
BB49-HNC
CHEMBL2366295
 IC50 9.19 9.19 0.7 1
HOP-62
CHEMBL614643
 IC50 9.19 9.19 0.6 1
D-336MG
CHEMBL2366113
 IC50 9.18 9.18 0.7 1
TK-10
CHEMBL614056
 IC50 9.17 9.17 0.7 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 927.0 ng.hr.mL-1 Mus musculus
AUC 499.0 ng.hr.mL-1 Mus musculus
AUC 654.0 ng.hr.mL-1 Rattus norvegicus
AUC 303.0 ng.hr.mL-1 Rattus norvegicus
AUC 303.0 ng.hr.mL-1 Rattus norvegicus
AUC 654.0 ng.hr.mL-1 Rattus norvegicus
CL 14.33 mL.min-1.kg-1 Mus musculus
CL 23.88 mL.min-1.kg-1 Rattus norvegicus
CL 44.72 mL.min-1.kg-1 Rattus norvegicus
CL 19.0 mL.min-1.kg-1 Homo sapiens
CL 44.72 mL.min-1.kg-1 Rattus norvegicus
CL 23.88 mL.min-1.kg-1 Rattus norvegicus
CL 34.0 mL.min-1.kg-1 Rattus norvegicus
Cmax 2815.88 nM Rattus norvegicus
Cmax 419.0 nM Rattus norvegicus
Cmax 419.0 nM Rattus norvegicus
Cmax 2815.88 nM Rattus norvegicus
F 11.0 % Mus musculus
F 46.0 % Rattus norvegicus
Fu 0.17 - Homo sapiens
MRT 1.4 hr Rattus norvegicus
MRT 7.69 hr Rattus norvegicus
MRT 8.8 hr Homo sapiens
MRT 7.69 hr Rattus norvegicus
MRT 1.4 hr Rattus norvegicus
T1/2 98.0 hr Mus musculus
T1/2 70.0 hr Mus musculus
T1/2 0.2667 hr Rattus norvegicus
T1/2 0.6667 hr Canis lupus familiaris
T1/2 0.6167 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.161 nM 9.79 Inhibition of chymotrypsin-like activity of mouse liver 20S proteasome 19747832
SK-UT-1 IC50 = 0.163 nM 9.79 SANGER: Inhibition of human SK-UT-1 cell growth in a cell viability assay. -
SH-4 IC50 = 0.1727 nM 9.76 SANGER: Inhibition of human SH-4 cell growth in a cell viability assay. -
TE-9 IC50 = 0.1823 nM 9.74 SANGER: Inhibition of human TE-9 cell growth in a cell viability assay. -
Unchecked IC50 = 0.2 nM 9.7 Inhibition of chymotrypsin-like activity of 20S proteasome in human DLD1 cells t... 22206869
no-10 IC50 = 0.2098 nM 9.68 SANGER: Inhibition of human no-10 cell growth in a cell viability assay. -
A253 cell line IC50 = 0.2085 nM 9.68 SANGER: Inhibition of human A253 cell growth in a cell viability assay. -
MMAC-SF IC50 = 0.2163 nM 9.66 SANGER: Inhibition of human MMAC-SF cell growth in a cell viability assay. -
A101D IC50 = 0.2254 nM 9.65 SANGER: Inhibition of human A101D cell growth in a cell viability assay. -
NTERA-2-cl-D1 IC50 = 0.2434 nM 9.61 SANGER: Inhibition of human NTERA-S-cl-D1 cell growth in a cell viability assay. -
8-MG-BA IC50 = 0.2498 nM 9.6 SANGER: Inhibition of human 8-MG-BA cell growth in a cell viability assay. -
KNS-42 IC50 = 0.2579 nM 9.59 SANGER: Inhibition of human KNS-42 cell growth in a cell viability assay. -
LXF-289 cell line IC50 = 0.2688 nM 9.57 SANGER: Inhibition of human LXF-289 cell growth in a cell viability assay. -
OVCAR-4 IC50 = 0.2893 nM 9.54 SANGER: Inhibition of human OVCAR-4 cell growth in a cell viability assay. -
LOUCY IC50 = 0.293 nM 9.53 SANGER: Inhibition of human LOUCY cell growth in a cell viability assay. -
BB65-RCC IC50 = 0.3041 nM 9.52 SANGER: Inhibition of human BB65-RCC cell growth in a cell viability assay. -
ONS-76 IC50 = 0.33 nM 9.48 SANGER: Inhibition of human ONS-76 cell growth in a cell viability assay. -
D-542MG IC50 = 0.3288 nM 9.48 SANGER: Inhibition of human D-542MG cell growth in a cell viability assay. -
BB30-HNC IC50 = 0.3353 nM 9.47 SANGER: Inhibition of human BB30-HNC cell growth in a cell viability assay. -
KS-1 IC50 = 0.3402 nM 9.47 SANGER: Inhibition of human KS-1 cell growth in a cell viability assay. -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885861 Rattus norvegicus 662
19949053 10.1128/aac.01101-09 Mus musculus 56
24946214 10.1016/j.ejmech.2014.06.017 NON-PROTEIN TARGET 19
19949053 10.1128/aac.01101-09 Hepatitis B virus 18
20158184 10.1021/jm901407s Rattus norvegicus 17
21077681 10.1021/jm1009742 Rattus norvegicus 16
31283222 10.1021/acs.jmedchem.9b00509 Unchecked 15
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
32267687 10.1021/acs.jmedchem.9b02161 KM3/BTZ 12
27994734 10.1021/acsmedchemlett.6b00217 NON-PROTEIN TARGET 12
22978849 10.1021/jm300434z Proteasome Macropain subunit MB1 10
30590258 10.1016/j.ejmech.2018.12.029 RPMI-8226 9
27769033 10.1016/j.ejmech.2016.10.023 Mus musculus 9
26254279 10.18632/oncotarget.4214 Proteasome 9
22978849 10.1021/jm300434z THP-1 9
18247547 10.1021/jm7010589 Unchecked 9
27769033 10.1016/j.ejmech.2016.10.023 BEL-7404 tumor cell line 9
20875739 10.1016/j.bmcl.2010.09.032 Unchecked 8
27469982 10.1016/j.bmc.2016.07.035 Unchecked 8
18247547 10.1021/jm7010589 Mus musculus 8

Data from ChEMBL 36 via Core Engine