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Compound Detail

CHEMBL2103884

OPROZOMIB
🧪 Phase II
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🧪 Phase II
COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2103884
Name OPROZOMIB
Phase Phase II
Structure Type MOL
InChI Key SWZXEVABPLUDIO-WSZYKNRRSA-N

Known Names

ONX 0912 ONX-0912 Oprozomib Pr-047
8
Targets
18
Activities
1
Assay Types
10
PK Parameters
20
Publications
4
Known Names
5
Indications
1
Mechanisms

Molecular Properties

532.6
MW (Da)
0.41
ALogP
9
HBA
3
HBD
148.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -zomib
USAN Year 2011

Extended Properties

Molecular Formula C25H32N4O7S
MW 532.62
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.24

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
26S proteasome inhibitor INHIBITOR 26S proteasome ✓ ✓

Indications

Carcinoma, Hepatocellular Multiple Myeloma Neoplasms Neoplasms Waldenstrom Macroglobulinemia

Activity Summary

IC50 18 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome Macropain subunit MB1
CHEMBL4662
 IC50 8.52 7.724 3.0 5
MM1.S
CHEMBL4296471
 IC50 8.05 8.05 9.0 2
Proteasome subunit beta type-8
CHEMBL5620
 IC50 8.0 7.545 10.0 2
RPMI-8226
CHEMBL614882
 IC50 7.72 7.6467 19.0 3
Unchecked
CHEMBL612545
 IC50 7.65 7.65 22.4 1
20S proteasome
CHEMBL3831201
 IC50 7.63 7.63 23.5 1
MV4-11
CHEMBL613835
 IC50 7.55 7.55 28.0 2
Chymotrypsin-like protease CTRL-1
CHEMBL4873
 IC50 6.91 6.75 124.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 506.0 ng.hr.mL-1 Mus musculus
AUC 142.0 ng.hr.mL-1 Mus musculus
CL 164.3 mL.min-1.kg-1 Mus musculus
Cmax 490.03 nM Mus musculus
F 5.61 % Mus musculus
T1/2 0.04 hr Mus musculus
T1/2 0.35 hr Homo sapiens
T1/2 1.05 hr Rattus norvegicus
T1/2 0.3617 hr Mus musculus
Tmax 0.22 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome Macropain subunit MB1 IC50 = 3.0 nM 8.52 Inhibition of beta5 proteasome (unknown origin) 33656892
MM1.S IC50 = 9.0 nM 8.05 Antiproliferative activity against human MM1S cells after 72 hrs by MTS assay 30265557
MM1.S IC50 = 9.0 nM 8.05 Antiproliferative activity against human MM1S cells after 72 hrs by MTS assay 30611983
Proteasome subunit beta type-8 IC50 = 10.0 nM 8.0 Irreversible inhibition of inducible 20S proteasome subunit beta5i chymotrypsin-... 22978849
Proteasome Macropain subunit MB1 IC50 = 10.0 nM 8.0 Irreversible inhibition of constitutive 20S proteasome subunit beta5 chymotrypsi... 22978849
RPMI-8226 IC50 = 19.0 nM 7.72 Antiproliferative activity against human RPMI8226 cells after 72 hrs by MTS assa... 30265557
RPMI-8226 IC50 = 19.0 nM 7.72 Antiproliferative activity against human RPMI8226 cells after 72 hrs by MTS assa... 30611983
Unchecked IC50 = 22.4 nM 7.65 Cytotoxicity activity against human U266B cells assessed as reduction in cell vi... 33971487
20S proteasome IC50 = 23.5 nM 7.63 Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-L... 33971487
MV4-11 IC50 = 28.0 nM 7.55 Antiproliferative activity against human MV4-11 cells after 72 hrs by MTS assay 30265557
MV4-11 IC50 = 28.0 nM 7.55 Antiproliferative activity against human MV4-11 cells after 72 hrs by MTS assay 30611983
RPMI-8226 IC50 = 31.5 nM 7.5 Cytotoxicity activity against human RPMI-8226 cells assessed as reduction in cel... 33971487
Proteasome Macropain subunit MB1 IC50 = 36.0 nM 7.44 Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence... 31521028
Proteasome Macropain subunit MB1 IC50 = 47.0 nM 7.33 Inhibition of human 20S proteasome chymotrypsin-like activity using Suc-Leu-Leu-... 30265557
Proteasome Macropain subunit MB1 IC50 = 47.0 nM 7.33 Inhibition of human hepatic cell derived 20s constitutive proteasome beta5 chymo... 30611983
Proteasome subunit beta type-8 IC50 = 82.0 nM 7.09 Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence... 31521028
Chymotrypsin-like protease CTRL-1 IC50 = 124.0 nM 6.91 Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... -
Chymotrypsin-like protease CTRL-1 IC50 = 256.0 nM 6.59 Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... -

Literature References

PubMed DOI Target Context # Activities
30265557 10.1021/acs.jmedchem.8b00819 ADMET 9
33971487 10.1016/j.bmc.2021.116182 ADMET 4
33971487 10.1016/j.bmc.2021.116182 RPMI-8226 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
31521028 10.1016/j.ejmech.2019.111646 Proteasome Macropain subunit MB1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
30611983 10.1016/j.ejmech.2018.12.072 MM1.S 1
- 10.6019/EOS300108 HepG2 1
30611983 10.1016/j.ejmech.2018.12.072 RPMI-8226 1
30611983 10.1016/j.ejmech.2018.12.072 Proteasome Macropain subunit MB1 1
31521028 10.1016/j.ejmech.2019.111646 Unchecked 1
31521028 10.1016/j.ejmech.2019.111646 Proteasome subunit beta type-8 1
22978849 10.1021/jm300434z Unchecked 1
30265557 10.1021/acs.jmedchem.8b00819 Mus musculus 1
30265557 10.1021/acs.jmedchem.8b00819 MV4-11 1
30265557 10.1021/acs.jmedchem.8b00819 MM1.S 1
30265557 10.1021/acs.jmedchem.8b00819 RPMI-8226 1
30265557 10.1021/acs.jmedchem.8b00819 Proteasome Macropain subunit MB1 1
22978849 10.1021/jm300434z Proteasome Macropain subunit MB1 1
22978849 10.1021/jm300434z Proteasome subunit beta type-8 1

Data from ChEMBL 36 via Core Engine