Compound Detail
CHEMBL5778844
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CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL5778844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODEMAVMCRIASEH-VVEDBRRQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
2.14
ALogP
6
HBA
3
HBD
129.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 CHEMBL4873 | IC50 | 7.21 | 6.91 | 62.4 | 2 |
| Transmembrane protease serine 11D CHEMBL1795138 | IC50 | 5.78 | 5.61 | 1648.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 62.4 | nM | 7.21 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 248.0 | nM | 6.61 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Transmembrane protease serine 11D | IC50 | = | 1648.0 | nM | 5.78 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Transmembrane protease serine 11D | IC50 | = | 3601.0 | nM | 5.44 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
Data from ChEMBL 36 via Core Engine