Compound Detail
CHEMBL5200541
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Cc1ccc(-c2noc(-c3ccc(F)cc3NC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)n2)cn1
Basic Information
| ChEMBL ID | CHEMBL5200541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJMBVDIDEITXSR-DPZBCOQUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
609.7
MW (Da)
4.59
ALogP
8
HBA
4
HBD
151.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 11 CHEMBL3831212 | Kd | 5.86 | 5.86 | 1380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 11 | Kd | = | 1380.0 | nM | 5.86 | Binding affinity to biotinylated recombinant Rpn6 (unknown origin) assessed as d... | 35253427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35253427 | 10.1021/acs.jmedchem.1c02210 | Unchecked | 5 |
| 35253427 | 10.1021/acs.jmedchem.1c02210 | Nuclear factor erythroid 2-related factor 2 | 5 |
| 35253427 | 10.1021/acs.jmedchem.1c02210 | THP-1 | 4 |
| 35253427 | 10.1021/acs.jmedchem.1c02210 | 26S proteasome non-ATPase regulatory subunit 11 | 2 |
| 35253427 | 10.1021/acs.jmedchem.1c02210 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine