Compound Detail
CHEMBL5753629
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Cc1cc(C(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccncc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
Basic Information
| ChEMBL ID | CHEMBL5753629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROLQYXJUDQOMJQ-PXSDZQOHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
589.7
MW (Da)
2.73
ALogP
8
HBA
3
HBD
155.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 CHEMBL4873 | IC50 | 8.18 | 7.865 | 6.6 | 2 |
| Transmembrane protease serine 11D CHEMBL1795138 | IC50 | 5.19 | 5.03 | 6450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 6.56 | nM | 8.18 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 28.1 | nM | 7.55 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Transmembrane protease serine 11D | IC50 | = | 6450.0 | nM | 5.19 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Transmembrane protease serine 11D | IC50 | = | 13384.0 | nM | 4.87 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
Data from ChEMBL 36 via Core Engine