Compound Detail
CHEMBL4467618
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COc1ccc(NC(=O)C2CCN(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]3(C)CO3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4467618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYPOOVBFHAEDKN-FMMOARAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
691.9
MW (Da)
4.09
ALogP
7
HBA
4
HBD
158.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 4.8 | nM | 8.32 | Inhibition of human 20S proteasome preincubated for 15 mins followed by substrat... | 30639896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30639896 | 10.1016/j.ejmech.2018.12.064 | 20S proteasome | 1 |
Data from ChEMBL 36 via Core Engine