Compound Detail
CHEMBL5180795
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CC(C)(C)NC(=O)CC[C@H](NC(=O)CCNC(=O)CCl)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL5180795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZXRRFKYQZMKHS-ACHIHNKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
686.2
MW (Da)
4.26
ALogP
5
HBA
5
HBD
145.5
PSA (Ų)
0.12
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 8.97 | 8.97 | 1.1 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.24 | 6.24 | 572.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 1.07 | nM | 8.97 | Inhibition of 20S proteasome subunit beta-5i (unknown origin) using Ac-ANW-AMC a... | 35286927 |
| Proteasome Macropain subunit MB1 | IC50 | = | 572.0 | nM | 6.24 | Inhibition of 20S proteasome subunit beta-5c (unknown origin) using Ac-WLA-AMC a... | 35286927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35286927 | 10.1016/j.ejmech.2022.114252 | THP-1 | 2 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Proteasome subunit beta type-8 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Proteasome Macropain subunit MB1 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Unchecked | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | DOHH-2 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Pfeiffer | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | HCT-116 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | HT-29 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | MCF7 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Proteasome subunit beta type-9 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Proteasome component C5 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Proteasome subunit beta type-10 | 1 |
| 35286927 | 10.1016/j.ejmech.2022.114252 | Proteasome subunit beta type-4 | 1 |
Data from ChEMBL 36 via Core Engine