Compound Detail
CHEMBL4280071
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4280071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMGISWWLDRRGGX-VBUOKMFZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
792.9
MW (Da)
3.09
ALogP
9
HBA
7
HBD
227.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Proteasome subunit beta type-9 CHEMBL1944495 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
| Proteasome component C5 CHEMBL4208 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 1480.0 | nM | 5.83 | Inhibition of human 20S constitutive proteasome beta-5 using Suc-LLVY-AMC as sub... | 29339252 |
| Proteasome subunit beta type-8 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human 20S immunoproteasome beta-5 using Suc-LLVY-AMC as substrate ... | 29339252 |
| Proteasome subunit beta type-9 | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate in... | 29339252 |
| Proteasome component C5 | IC50 | = | 20100.0 | nM | 4.7 | Inhibition of human 20S constitutive proteasome beta-1 using Z-LLE-betaNA as sub... | 29339252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome Macropain subunit MB1 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-8 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-9 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome component C5 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome Macropain subunit | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-10 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Huh-7 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Caco-2 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | MDA-MB-231 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | HCT-116 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | PC-3 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | NCI-H727 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | MCF7 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine