Compound Detail
CHEMBL4863407
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
C[C@]1(C(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2COCCCCCC(=O)N3CCC[C@H]3C(=O)N2)CO1
Basic Information
| ChEMBL ID | CHEMBL4863407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZUKPKWKUGXQAV-HJJDGDTKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
1.87
ALogP
6
HBA
2
HBD
117.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-9 CHEMBL1944495 | IC50 | 6.28 | 6.28 | 522.6 | 1 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 5.24 | 5.24 | 5773.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-9 | IC50 | = | 522.6 | nM | 6.28 | Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrat... | 34309393 |
| Proteasome subunit beta type-8 | IC50 | = | 5773.0 | nM | 5.24 | Inhibition of human 20S proteasome LMP7 using Ac-ANW-AMC as fluorogenic substrat... | 34309393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34309393 | 10.1021/acs.jmedchem.1c00291 | Unchecked | 2 |
| 34309393 | 10.1021/acs.jmedchem.1c00291 | Proteasome subunit beta type-9 | 1 |
| 34309393 | 10.1021/acs.jmedchem.1c00291 | Proteasome subunit beta type-8 | 1 |
Data from ChEMBL 36 via Core Engine