Compound Detail
CHEMBL447324
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COC(=O)/C=C/[C@H](CC(C)C)NC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)C(=O)NC(=O)CN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL447324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSOQQQVKLMQLBT-HBKAYIRPSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
610.8
MW (Da)
-0.21
ALogP
9
HBA
6
HBD
228.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6470.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.8083 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6470.0 | nM | 5.19 | Inhibition of trypsin-like activity of 20S proteasome beta 2 subunit by fluorime... | 19250821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19250821 | 10.1016/j.bmcl.2009.02.046 | Unchecked | 3 |
| 19250821 | 10.1016/j.bmcl.2009.02.046 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine