Compound Detail
CHEMBL4522536
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[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](C[C@H]1CC[C@H](C2CCCCC2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[C@@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL4522536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUNPGSOQSQLUNU-DJWYHCTHSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
752.0
MW (Da)
3.70
ALogP
8
HBA
4
HBD
158.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 7.55 | 6.575 | 28.0 | 4 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in... | 27438186 |
| Proteasome Macropain subunit MB1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of 20s constitutive proteasome beta-5c (unknown origin) | 36608337 |
| Proteasome Macropain subunit MB1 | IC50 | = | 274.0 | nM | 6.56 | Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in... | 27438186 |
| Proteasome Macropain subunit MB1 | IC50 | = | 22800.0 | nM | 4.64 | Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human ... | 27438186 |
| Proteasome subunit beta type-8 | IC50 | = | 22800.0 | nM | 4.64 | Inhibition of 20s immunoproteasome beta-5i subunit (unknown origin) | 36608337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27438186 | 10.1021/acs.jmedchem.6b00705 | Proteasome Macropain subunit MB1 | 5 |
| 27438186 | 10.1021/acs.jmedchem.6b00705 | Proteasome Macropain subunit | 4 |
| 27438186 | 10.1021/acs.jmedchem.6b00705 | Proteasome component C5 | 4 |
| 27438186 | 10.1021/acs.jmedchem.6b00705 | Unchecked | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome Macropain subunit MB1 | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome subunit beta type-8 | 1 |
Data from ChEMBL 36 via Core Engine