Compound Detail
CHEMBL5875469
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CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL5875469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSNVBQGQIMKBHT-NOBFNJNDSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
674.8
MW (Da)
2.25
ALogP
10
HBA
3
HBD
168.3
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 CHEMBL4873 | IC50 | 9.04 | 9.0 | 0.9 | 2 |
| Transmembrane protease serine 11D CHEMBL1795138 | IC50 | 4.84 | 4.825 | 14405.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 0.92 | nM | 9.04 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Chymotrypsin-like protease CTRL-1 | IC50 | = | 1.09 | nM | 8.96 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Transmembrane protease serine 11D | IC50 | = | 14405.0 | nM | 4.84 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
| Transmembrane protease serine 11D | IC50 | = | 15334.0 | nM | 4.81 | Proteasome-Activity Inhibitory Assay: Inhibition of the chymotrypsin-like (CT-L)... | - |
Data from ChEMBL 36 via Core Engine