Compound Detail
CHEMBL339658
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CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C=O
Basic Information
| ChEMBL ID | CHEMBL339658 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HKFKZFVHAUUKCW-KKUQBAQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
3.06
ALogP
7
HBA
4
HBD
150.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome CHEMBL612443 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome | Ki | = | 3.1 | nM | 8.51 | Inhibitory constant for the inactivation of the chymotrypsin like activity of pr... | 9871688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871688 | 10.1016/s0960-894x(98)00030-4 | Proteasome | 1 |
Data from ChEMBL 36 via Core Engine