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Compound Detail

CHEMBL3357585

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C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357585
Phase Preclinical
Structure Type MOL
InChI Key AWKBSNYWCGTXKB-SUNKVDCXSA-N
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1401.7
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C80H92N10O13
MW 1401.67

Activity Summary

IC50 9 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteasome
CHEMBL612443
 IC50 6.9 6.47 125.0 3
Unchecked
CHEMBL612545
 IC50 6.31 6.02 490.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proteasome IC50 = 125.0 nM 6.9 Inhibition of chymotrypsin-like activity of proteasome in HEK293 cells incubated... 25333324
Unchecked IC50 = 490.0 nM 6.31 Inhibition of chymotrypsin-like activity of human constitutive 20S proteasome in... 25333324
Proteasome IC50 = 515.0 nM 6.29 Inhibition of trypsin-like activity of proteasome in HEK293 cells incubated for ... 25333324
Proteasome IC50 = 596.0 nM 6.22 Inhibition of PA activity of proteasome in HEK293 cells incubated for 1 hr by pr... 25333324
Unchecked IC50 = 670.0 nM 6.17 Inhibition of chymotrypsin-like activity of human inducible 20S immunoproteasome... 25333324
Unchecked IC50 = 740.0 nM 6.13 Inhibition of PA activity of human inducible 20S immunoproteasome incubated for ... 25333324
Unchecked IC50 = 1280.0 nM 5.89 Inhibition of trypsin-like activity of human constitutive 20S proteasome incubat... 25333324
Unchecked IC50 = 1370.0 nM 5.86 Inhibition of PA activity of human constitutive 20S proteasome incubated for 15 ... 25333324
Unchecked IC50 = 1730.0 nM 5.76 Inhibition of trypsin-like activity of human inducible 20S immunoproteasome incu... 25333324

Literature References

PubMed DOI Target Context # Activities
25333324 10.1021/jm5011429 Unchecked 6
25333324 10.1021/jm5011429 Proteasome 3
25333324 10.1021/jm5011429 HEK293 1
25333324 10.1021/jm5011429 ADMET 1

Data from ChEMBL 36 via Core Engine